SCHEMBL13484347

SCHEMBL13484347

COC(=O)c1ccc(-c2ccsc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
EGFR P00533 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.42
MYC P01106 1/20 0.41
WDR5 P61964 1/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 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
SCHEMBL13229757 0.87 PTGS1 (0.43) PTGS1POLBRXFP1CA1CA2
SCHEMBL9169122 0.86 CA12 (0.46) PTGS1POLBRXFP1CA1CA2
SCHEMBL7823119 0.83 PLAU (0.44) PTGS1CA1CA2CA12CA9
SCHEMBL13229756 0.82 PTGS1 (0.40) PTGS1POLBRXFP1EGFRCA1
SCHEMBL20262093 0.81 PTGS1 (0.62) PTGS1POLBRXFP1EGFRCA1
SCHEMBL3195110 0.81 HDAC3 (0.45) PTGS1TP53ALDH1A1TSHRKDM4E
SCHEMBL15997796 0.80 PGR (0.39) PTGS1POLBRXFP1PGR
SCHEMBL3722137 0.75 EGFR (0.51) PTGS1EGFRCA1CA2CA12
SCHEMBL17837166 0.74 POLB (0.49) POLBRXFP1TDP1MAPTKMT2A
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 0.73 CA1 (0.67) EGFRCA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772484-B1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-06-28 EP disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
WO-2013058258-A1 BICYCLIC HETEROCYCLIC COMPOUND アステラス製薬株式会社 (JP) 2013-04-25 WO disclosed
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 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 (2 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-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND HSD11B1, HSD17B11, HSD17B1 PTGS1 94/4885POLB 1682/4885RXFP1 4184/4885
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses HRH3, HRH4, HCRTR1 PTGS1 2379/4885POLB 4356/4885RXFP1 208/4885

“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.