SCHEMBL7260951

SCHEMBL7260951

COC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.62
TSHR P16473 1/20 0.60
MDM4 O15151 1/20 0.60
MDM2 Q00987 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
CA12 O43570 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
TRPM8 Q7Z2W7 1/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MIF P14174 1/20 0.53
ELANE P08246 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL2375646 0.94 ATM (0.68) ATML3MBTL1CA12CA7CA9
SCHEMBL2375644 0.94 ATM (0.68) ATML3MBTL1CA12CA7CA9
SCHEMBL3959739 0.94 ATM (0.68) ATML3MBTL1CA12CA7CA9
Hydrochloric Acid SCHEMBL17822192 0.92 ATM (0.67) ATML3MBTL1CA12CA7CA9
Hydrochloric Acid SCHEMBL1885087 0.92 ATM (0.67) ATML3MBTL1CA12CA7CA9
Hydrochloric Acid SCHEMBL1885086 0.92 ATM (0.67) ATML3MBTL1CA12CA7CA9
SCHEMBL2375126 0.90 ATM (0.60) ATMTSHRMDM4MDM2L3MBTL1
SCHEMBL2375130 0.90 ATM (0.60) ATMTSHRMDM4MDM2L3MBTL1
SCHEMBL2863115 0.89 NOS2 (0.59) ATMTSHRMDM4MDM2L3MBTL1
SCHEMBL5887263 0.89 ATM (0.59) ATMTSHRL3MBTL1CA12CA7

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
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-03-17 US disclosed
US-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-03-17 US disclosed
WO-2003053940-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-$G(A) CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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-20160074853-A1 LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX NISCH, DDT, TEC ATM 4242/4885TSHR 2103/4885MDM4 932/4885

“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.