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SCHEMBL2001772

SCHEMBL2001772

COC(=O)c1ccc(OCCCNC2=C(c3ccccc3)S(O)(O)N(C(C)(C)C)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ HEXA P06865 1/20 0.41
▸ HEXB P07686 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ KDM4E B2RXH2 6/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ MTNR1A P48039 1/20 0.37

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
SCHEMBL2000480 0.92 TSHR (0.45) RAB9AL3MBTL1NPC1POLBCASP3
SCHEMBL2001770 0.91 MAPT (0.47) MAPTRAB9AHEXAHEXBL3MBTL1
SCHEMBL2003669 0.90 ALDH1A1 (0.41) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL2000962 0.85 ALDH1A1 (0.38) L3MBTL1TDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2001082 0.85 ESR1 (0.40) MAPTRAB9ATDP1SMN1; SMN2MAPK1
SCHEMBL2000298 0.84 KMT2A (0.43) SMN1; SMN2POLBKDM4EALDH1A1KMT2A
SCHEMBL2000478 0.83 TSHR (0.45) RAB9AL3MBTL1NPC1POLBCASP3
SCHEMBL2004216 0.82 MEN1 (0.36) MAPTRAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL2003034 0.82 MEN1 (0.41) MAPTL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2003667 0.81 ALDH1A1 (0.42) MAPTRAB9ANPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 — — US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 — — US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 — — US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 — — 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 (2 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MAPT 2119/4885RAB9A 3641/4885HEXA 3324/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MAPT 2119/4885RAB9A 3641/4885HEXA 3324/4885

“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.