SCHEMBL3632780

SCHEMBL3632780

Cc1cc(C(C)OS(C)(=O)=O)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
NCF1 P14598 3/20 0.44
KDM4E B2RXH2 5/20 0.43
HTT P42858 4/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
EDNRA P25101 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7224310 0.77 CYP1A2 (0.56) CYP1A2NCF1KDM4EHTTLMNA
SCHEMBL7998749 0.76 CYP1A2 (0.60) CYP1A2NCF1KDM4EHTTUSP2
SCHEMBL4059622 0.74 KDM4E (0.53) KDM4EHTTMEN1KMT2AL3MBTL1
SCHEMBL2528435 0.72 NCF1 (0.49) CYP1A2NCF1KDM4EHTTLMNA
SCHEMBL15562148 0.72 ALDH1A1 (0.44) CYP1A2ALDH1A1CYP2C19
SCHEMBL7379490 0.72 CYP1A2 (0.55) CYP1A2NCF1KDM4EHTTUSP2
SCHEMBL6629887 0.72 SMN1; SMN2 (0.49) KDM4EHTTMEN1KMT2ASMN1; SMN2
SCHEMBL6634649 0.72 KDM4E (0.50) KDM4EHTTLMNAMAPK1MEN1
SCHEMBL21316068 0.72 CYP1A2 (0.58) CYP1A2NCF1KDM4EHTTUSP2
SCHEMBL5935677 0.71 CYP1A2 (0.49) CYP1A2NCF1KDM4EHTTMEN1

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-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
EP-2155703-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Inhibox Ltd. (GB) 2010-02-24 EP disclosed
WO-2008142376-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS INHIBOX LTD. (GB) 2008-11-27 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 (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-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents TNF, CS, COASY CYP1A2 1621/4885NCF1 2067/4885KDM4E 3812/4885

“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.