SCHEMBL425354

SCHEMBL425354

CS(=O)(=O)N(C=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CA2 P00918 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.43
NR3C2 P08235 1/20 0.41
AOC3 Q16853 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
MCHR1 Q99705 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NR3C1 P04150 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 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
SCHEMBL20679705 0.83 ALDH1A1 (0.45) ALDH1A1CA2POLBSMN1; SMN2TSHR
SCHEMBL11029541 0.81 CA2 (0.46) ALDH1A1CA2POLBSMN1; SMN2TSHR
SCHEMBL28852813 0.79 ALDH1A1 (0.45) ALDH1A1CA2POLBSMN1; SMN2TSHR
SCHEMBL4983475 0.76 CNR2 (0.58) ALDH1A1POLBTSHRMCHR1NR3C1
SCHEMBL28517819 0.76 MEN1 (0.46) ALDH1A1CA2POLBSMN1; SMN2TSHR
SCHEMBL10312253 0.75 ALDH1A1 (0.64) ALDH1A1CA2POLBSMN1; SMN2TSHR
SCHEMBL2492170 0.75 TSHR (0.53) ALDH1A1CA2POLBSMN1; SMN2TSHR
SCHEMBL2057187 0.74 ALDH1A1 (0.54) ALDH1A1CA2POLBSMN1; SMN2TSHR
SCHEMBL967209 0.71 TSHR (0.56) ALDH1A1SMN1; SMN2TSHRAOC3CARM1
SCHEMBL24571678 0.71 TSHR (0.68) ALDH1A1CA2POLBSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US 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 (5 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ALDH1A1 750/4885CA2 2701/4885POLB 77/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885CA2 3841/4885POLB 88/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885CA2 3841/4885POLB 88/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 ALDH1A1 351/4885CA2 4553/4885POLB 308/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885CA2 2701/4885POLB 77/4885

“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.