SCHEMBL2806515

SCHEMBL2806515

O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1csc(C2CCN(C(=O)OCc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 12/20 0.42
TRPC3 Q13507 1/20 0.39
TRPC7 Q9HCX4 1/20 0.39
USP30 Q70CQ3 1/20 0.37
GRIN2B Q13224 2/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATXN2 Q99700 1/20 0.36
P2RX3 P56373 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
SCHEMBL2809050 0.85 ENPP2 (0.43) ENPP2TRPC3TRPC7USP30KDM4E
SCHEMBL2809066 0.85 GRIN2B (0.47) ENPP2TRPC3TRPC7USP30GRIN2B
SCHEMBL16927766 0.85 NFKB1 (0.40) PPARGMAPTLMNASMN1; SMN2
SCHEMBL2805845 0.83 ROCK2 (0.48) ENPP2
SCHEMBL2814527 0.83 GRIN2D (0.49) ENPP2GRIN2BATXN2
SCHEMBL13129757 0.82 MCHR1 (0.43) ENPP2MAPTLMNA
SCHEMBL2806832 0.82 JAK2 (0.44) ENPP2TRPC3TRPC7USP30
SCHEMBL2806643 0.80 ENPP2 (0.43) ENPP2TRPC3TRPC7USP30KDM4E
SCHEMBL2809568 0.80 ENPP2 (0.52) ENPP2GRIN2BATXN2
SCHEMBL2810491 0.80 ENPP2 (0.46) ENPP2

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
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP claimed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US claimed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US claimed

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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 ENPP2 4652/4885TRPC3 1740/4885TRPC7 2571/4885

“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.