SCHEMBL2834514

SCHEMBL2834514

NC(=O)C1(c2nccs2)CCCCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL30685514 0.86 OPRL1 (0.35) OPRL1ALDH1A1TSHRDPP4DPP8
SCHEMBL2835752 0.80 OPRL1 (0.33) OPRL1ALDH1A1CYP2D6
SCHEMBL2053963 0.72 LMNA (0.36) OPRL1ALDH1A1TSHRDPP4DPP8
SCHEMBL2837448 0.71 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GAA
SCHEMBL2832282 0.71 EPHX1 (0.41) ALDH1A1CYP3A4
SCHEMBL2832274 0.71 TRPV1 (0.33) SMN1; SMN2ALDH1A1GAA
SCHEMBL2833004 0.71 FAAH (0.31) SMN1; SMN2ALDH1A1TSHR
SCHEMBL2016931 0.71 LMNA (0.38) OPRL1SMN1; SMN2ALDH1A1TSHRDPP4
SCHEMBL3797646 0.69 ALDH1A1 (0.35) OPRL1ALDH1A1TSHRDPP4DPP8
SCHEMBL2040851 0.69 LMNA (0.39) OPRL1SMN1; SMN2ALDH1A1TSHRDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 OPRL1 1746/4885SMN1; SMN2 3257/4885ALDH1A1 1055/4885

“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.