SCHEMBL3255184

SCHEMBL3255184

CCCOc1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
MMP13 P45452 9/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP1 P03956 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.39
PTGS2 P35354 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL3249960 0.88 MMP13 (0.47) MAPTMMP13MMP1MMP2MMP9
SCHEMBL3255095 0.87 MMP13 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14569172 0.87 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6205985 0.81 CYP2D6 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL959465 0.80 APP (0.61) NPC1SMN1; SMN2ALDH1A1MAPTMMP13
SCHEMBL7058945 0.79 MMP13 (0.35) MMP13CA12CA1CA2CA9
SCHEMBL6206170 0.78 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7337943 0.78 CA2 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6955062 0.78 CA2 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7056446 0.78 CA12 (0.41) NPC1SMN1; SMN2ALDH1A1MAPTMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373262-B1 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS NOVARTIS AG (CH) 2010-05-12 EP disclosed
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives FUJIMOTO ROGER AKI (US) 2004-11-25 US disclosed
EP-1373262-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS Novartis AG (CH) 2004-01-02 EP disclosed
WO-2002072577-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS. NOVARTIS AG (CH) 2002-09-19 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 (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-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors MMP9, MMP1, MMP13 NPC1 2131/4885RAB9A 1513/4885SMN1; SMN2 2598/4885
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives MMP1, MMP9, MMP13 NPC1 1567/4885RAB9A 1715/4885SMN1; SMN2 3132/4885

“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.