SCHEMBL2961446

SCHEMBL2961446

O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.61
HTR7 P34969 1/20 0.61
HTT P42858 1/20 0.59
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
HRH2 P25021 1/20 0.56
HRH1 P35367 1/20 0.56
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54
BACE1 P56817 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
THRB P10828 1/20 0.52
MAPT P10636 1/20 0.49

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
SCHEMBL2961452 1.00 HTR1A (0.61) HTR1AHTR7HTTALDH1A1L3MBTL1
SCHEMBL19111270 0.84 KMT2A (0.62) HTR7HTTALDH1A1KMT2AMEN1
SCHEMBL6343889 0.81 BCHE (0.62) HTTALDH1A1KMT2AMEN1BCHE
SCHEMBL19122940 0.81 MEN1 (0.48) HTR1AHTR7HTTALDH1A1KMT2A
SCHEMBL18123523 0.80 BCHE (0.61) HTTALDH1A1KMT2AMEN1RECQL
SCHEMBL8413742 0.80 BCHE (0.61) HTTALDH1A1KMT2AMEN1RECQL
SCHEMBL17375921 0.79 KMT2A (0.51) HTR7HTTALDH1A1KMT2AMEN1
SCHEMBL17375922 0.79 KMT2A (0.51) HTR7HTTALDH1A1KMT2AMEN1
SCHEMBL8388011 0.79 HTT (0.68) HTR1AHTR7HTTALDH1A1L3MBTL1
SCHEMBL19121981 0.79 HTT (0.50) HTTALDH1A1KMT2AMEN1SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US 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 (1 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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 HTR1A 2446/4885HTR7 1644/4885HTT 3019/4885

“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.