SCHEMBL2993757

SCHEMBL2993757

CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2ccc(NS(C)(=O)=O)cc2)c2cn[nH]c2N1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 3/20 0.41
CACNA1C Q13936 1/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL3009358 0.92 CACNA1C (0.44) CACNA1CTP53ALDH1A1LMNACYP3A4
SCHEMBL3242915 0.79 PDE1C (0.48) PDE1CADORA3
SCHEMBL3002847 0.78 PDE1C (0.54) PDE1CCACNA1CALDH1A1CYP3A4ADORA3
SCHEMBL3250137 0.76 ALDH1A1 (0.57) TP53ALDH1A1LMNACYP3A4MAPT
SCHEMBL4260613 0.73 ADORA2B (0.57) PDE1CALDH1A1MAPTADORA3
SCHEMBL2996950 0.73 PDE1C (0.45) PDE1CHSD17B10TSHRADORA3
SCHEMBL3241017 0.73 PDE1C (0.59) PDE1CALDH1A1CYP3A4MAPTTSHR
SCHEMBL3006899 0.72 PDE1C (0.44) PDE1CALDH1A1LMNAADORA3
SCHEMBL3000827 0.72 PDE1C (0.45) PDE1CALDH1A1ADORA3
SCHEMBL3237974 0.72 TSHR (0.44) PDE1CMAPTHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R PDE1C 2952/4885CACNA1C 1708/4885TP53 1495/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R PDE1C 2952/4885CACNA1C 1708/4885TP53 1495/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R PDE1C 2952/4885CACNA1C 1708/4885TP53 1495/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R PDE1C 2952/4885CACNA1C 1708/4885TP53 1495/4885

“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.