SCHEMBL2807221

SCHEMBL2807221

CC1(CCCNC(=O)c2csc(C3CCN(C(=O)OCc4ccc(Cl)cc4)CC3)n2)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.41
ADAMTS5 Q9UNA0 7/20 0.41
ENPP2 Q13822 4/20 0.40
TRPC3 Q13507 1/20 0.39
TRPC7 Q9HCX4 1/20 0.39
MMP2 P08253 2/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2809162 0.79 ENPP2 (0.41) ENPP2TRPC3TRPC7KDM4EALDH1A1
SCHEMBL2809157 0.78 CYP1A2 (0.44) ADAMTS5ENPP2SMN1; SMN2
SCHEMBL2809173 0.76 ENPP2 (0.43) ENPP2KDM4EALDH1A1SMN1; SMN2
SCHEMBL2810075 0.74 ENPP2 (0.42) ENPP2TRPC3TRPC7
SCHEMBL2809066 0.73 GRIN2B (0.47) ENPP2TRPC3TRPC7KDM4EALDH1A1
SCHEMBL2814527 0.72 GRIN2D (0.49) ENPP2
SCHEMBL2809959 0.71 ENPP2 (0.48) ENPP2
SCHEMBL2805845 0.71 ROCK2 (0.48) ENPP2
SCHEMBL2806506 0.71 PDE3B (0.51) ENPP2TRPC3TRPC7KDM4EALDH1A1
SCHEMBL2809050 0.71 ENPP2 (0.43) ENPP2TRPC3TRPC7KDM4EALDH1A1

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
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
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 ADAM17 4647/4885ADAMTS5 2855/4885ENPP2 4652/4885

“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.