SCHEMBL7540063

SCHEMBL7540063

COc1ccc(CS(=O)(=O)c2ccc(F)c(C#N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
PKM P14618 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
STAT3 P40763 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
SLC22A12 Q96S37 3/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL7536231 0.85 ALDH1A1 (0.44) SLC22A12ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL7537002 0.85 SLC22A12 (0.43) SLC22A12TAS2R14
SCHEMBL7535538 0.82 PKM (0.56) PKMTUBB4ATUBBTUBA3CSTAT3
SCHEMBL7534775 0.82 CYP1A2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30602802 0.81 ACLY (0.46) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL3246788 0.77 GABRA2 (0.45) SLC22A12
SCHEMBL7540192 0.77 TXNRD1 (0.55) PKMALDH1A1PLCG1MAPTMAPK1
SCHEMBL6675705 0.77 MAPT (0.61) PKMTUBB4ATUBBTUBA3CSTAT3
SCHEMBL28704253 0.76 MAOB (0.48) ALDH1A1MAOBMAPTKDM4EHTT
SCHEMBL15794044 0.76 GABRA2 (0.47) TUBB4ATUBBTUBA3CSTAT3TUBA1B

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 3 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

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 SIRT2 2654/4885PKM 3140/4885TUBB4A 681/4885

“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.