SCHEMBL2643093

SCHEMBL2643093

CCC(CC)C(=O)Nc1sc(-c2nc(Cc3ccc(F)cc3C(F)(F)F)no2)c(C)c1C#N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.71
P2RX7 Q99572 1/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 5/20 0.35
TP53 P04637 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
EPHX2 P34913 2/20 0.34
PPARG P37231 2/20 0.34
USP2 O75604 1/20 0.34
BAP1 Q92560 1/20 0.34
PIK3CG P48736 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2643759 0.92 GCGR (0.71) GCGRMAPTALDH1A1TP53HSD17B10
SCHEMBL2644279 0.91 GCGR (0.75) GCGRMAPTALDH1A1TP53HSD17B10
SCHEMBL2643247 0.89 GCGR (0.85) GCGRMAPTALDH1A1TP53HSD17B10
SCHEMBL2643002 0.83 GCGR (1.00) GCGRMAPTALDH1A1TP53HSD17B10
SCHEMBL2643510 0.81 GCGR (0.73) GCGRMAPTALDH1A1TP53HSD17B10
SCHEMBL2642823 0.80 GCGR (0.71) GCGRMAPTALDH1A1TP53HSD17B10
SCHEMBL2642890 0.78 GCGR (1.00) GCGRMAPTALDH1A1TP53HSD17B10
SCHEMBL2643627 0.74 GCGR (0.68) GCGRMAPTALDH1A1TP53HSD17B10
SCHEMBL2642810 0.74 GCGR (0.67) GCGRMAPTALDH1A1TP53HSD17B10
SCHEMBL2643378 0.71 GCGR (0.63) GCGRMAPTALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US claimed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US claimed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 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 (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-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR GCGR 3/4885P2RX7 818/4885MAPT 3828/4885

“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.