SCHEMBL395744

SCHEMBL395744

O=S(=O)(c1ccccc1)N1CCc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.77
KMT2A Q03164 6/20 0.77
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
AKR1C3 P42330 1/20 0.69
AKR1C1 Q04828 1/20 0.69
ALDH1A1 P00352 4/20 0.65
LMNA P02545 3/20 0.65
HTT P42858 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
PKM P14618 2/20 0.65
GAA P10253 2/20 0.65
TSHR P16473 2/20 0.65
STAT3 P40763 1/20 0.63
MAPT P10636 1/20 0.62
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29682974 1.00 MEN1 (0.77) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL31681274 0.90 MEN1 (0.73) MEN1KMT2AAKR1C3AKR1C1ALDH1A1
SCHEMBL5829479 0.90 KMT2A (0.78) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL12053364 0.87 MEN1 (0.73) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2692159 0.87 KMT2A (1.00) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5915295 0.87 MEN1 (1.00) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL16358437 0.87 MEN1 (0.73) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL665198 0.86 MEN1 (0.87) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL10186877 0.86 MEN1 (0.68) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL24827046 0.85 DRD3 (0.66) MEN1KMT2AAKR1C3AKR1C1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 333 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-11873292-B2 Trans-indoline cyclopropylamine chemical compound, and method for preparation, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-01-16 US disclosed
US-11873292-B2 Trans-indoline cyclopropylamine chemical compound, and method for preparation, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-01-16 US disclosed
US-11873292-B2 Trans-indoline cyclopropylamine chemical compound, and method for preparation, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-01-16 US disclosed
US-11834446-B2 Methods and compositions useful in treating cancer and reducing Wnt mediated effects in a cell STEMSYNERGY THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
WO-2007071442-A3 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-08-16 WO disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007071442-A2 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11834446-B2 Methods and compositions useful in treating cancer and reducing Wnt mediated effects in a cell WNT3A, WNT1, WNT3 MEN1 4226/4885KMT2A 3839/4885CYP3A4 4690/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4687/4885KMT2A 4313/4885CYP3A4 1368/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MEN1 4687/4885KMT2A 4313/4885CYP3A4 1368/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4687/4885KMT2A 4313/4885CYP3A4 1368/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 MEN1 4579/4885KMT2A 3350/4885CYP3A4 2459/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 MEN1 4791/4885KMT2A 4510/4885CYP3A4 3391/4885
US-11873292-B2 Trans-indoline cyclopropylamine chemical compound, and method for preparation, pharmaceutical composition, and use thereof INMT, IDO1, TPH1 MEN1 1036/4885KMT2A 111/4885CYP3A4 398/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.