Thiophene

Thiophene

SCHEMBL3277367

NS(=O)(=O)c1nccc2ccccc12.c1ccsc1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.43
CYP2A6 P11509 1/20 0.43
F12 P00748 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 6/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLG P00747 2/20 0.37
CA12 O43570 4/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL169719 0.90 PLAU (0.52) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29482553 0.90 PLAU (0.52) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29277533 0.76 CYP2A6 (0.55) PLAUCYP2A6F12NCF1NOS3
SCHEMBL10401348 0.74 CYP2A6 (0.59) PLAUCYP2A6F12NCF1NOS3
SCHEMBL329993 0.74 CYP2A6 (0.53) PLAUCYP2A6F12NCF1NOS3
SCHEMBL4729572 0.73 PLAU (0.44) PLAUCYP2A6F12NCF1NOS3
SCHEMBL329994 0.73 CYP2A6 (0.52) PLAUCYP2A6F12NCF1NOS3
SCHEMBL5610261 0.73 CYP2A6 (0.52) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29797287 0.73 CYP2A6 (0.52) PLAUCYP2A6F12NCF1NOS3
SCHEMBL1052021 0.73 CYP2A6 (0.52) PLAUCYP2A6F12NCF1NOS3

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-7696221-B2 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFκB inhibitors WYETH LLC (US) 2010-04-13 US disclosed
US-20060154875-A1 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors WYETH (US) 2006-07-13 US disclosed
WO-2006069182-A2 THIENOISOQUINOLINE-PHENYLSULFONAMIDES AND THEIR USE AS ER-NFkB INHIBITORS WYETH (US) 2006-06-29 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-20060154875-A1 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors NFKBIA, IKBKB, IKBKE PLAU 4571/4885CYP2A6 1413/4885F12 3635/4885

“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.