SCHEMBL7540192

SCHEMBL7540192

COc1ccc(CS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 7/20 0.55
VCAM1 P19320 1/20 0.52
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH3A1 P30838 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.41
PLCG1 P19174 1/20 0.40
CYP19A1 P11511 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
SCHEMBL7533985 0.85 VCAM1 (0.50) TXNRD1VCAM1MEN1RAB9AKMT2A
SCHEMBL7533291 0.85 TXNRD1 (0.58) TXNRD1VCAM1MAPTLMNAMAPK1
SCHEMBL30205490 0.82 ALDH1A1 (0.54) TXNRD1RAB9AALDH3A1MAPTLMNA
SCHEMBL7534749 0.82 VCAM1 (0.73) VCAM1ALDH3A1MAPTLMNAPKM
SCHEMBL7535509 0.82 VCAM1 (0.47) TXNRD1VCAM1MEN1RAB9AKMT2A
SCHEMBL26547989 0.81 KDM4E (0.60) VCAM1KMT2AALDH3A1MAPTLMNA
SCHEMBL21930667 0.81 TAS2R14 (0.56) VCAM1LMNASMN1; SMN2
SCHEMBL30261913 0.81 TAS2R14 (0.56) VCAM1LMNASMN1; SMN2
SCHEMBL22588394 0.77 PTGES (0.55) MEN1RAB9AKMT2AMAPTLMNA
SCHEMBL2313760 0.77 VCAM1 (0.69) TXNRD1VCAM1MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US claimed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP claimed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO claimed
US-6388131-B2 Benzenesulfonamide compounds, which encompasses the compound batabulin (2-Fluoro-1-methoxy-4-pentafluorophenylsulfonamidobenzene) TULARIK, INC. 2002-05-14 US disclosed
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US disclosed
US-6284923-B1 BENZENESULFONIMIDES FOR TREATMENT OF CANCER AND ANTICHOLESTEROL AGENTS TULARIK INC 2001-09-04 US disclosed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP disclosed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 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-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 TXNRD1 596/4885VCAM1 51/4885MEN1 2231/4885

“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.