SCHEMBL1855683

SCHEMBL1855683

CCC(c1ccccc1)N(Cc1ccc(N)cc1)C(=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.45
OPRK1 P41145 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SOAT1 P35610 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CNR2 P34972 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
MC5R P33032 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
SCHEMBL1855561 0.85 MDM2 (0.40) OPRK1MEN1KMT2A
SCHEMBL1856857 0.84 TACR1 (0.36) TRPM8OPRK1MEN1KMT2AKDM4E
SCHEMBL1851163 0.78 CYP17A1 (0.42)
SCHEMBL4315301 0.77 NAAA (0.55) SMN1; SMN2L3MBTL1
SCHEMBL1856769 0.77 NAAA (0.55) SMN1; SMN2L3MBTL1
SCHEMBL1859092 0.76 TRPM8 (0.41) TRPM8MEN1KMT2ALMNAALDH1A1
SCHEMBL1854700 0.74 MDM2 (0.39) OPRK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6716986 0.72 KDM4E (0.51) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL19630562 0.71 TRPM8 (0.53) TRPM8OPRK1LMNAALDH1A1HSD17B10
SCHEMBL19630549 0.71 TRPM8 (0.53) TRPM8OPRK1LMNAALDH1A1HSD17B10

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-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 TRPM8 1887/4885OPRK1 2914/4885MEN1 2496/4885

“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.