SCHEMBL1859092

SCHEMBL1859092

CCC(c1ccc(F)cc1)N(Cc1ccc(Br)cc1)C(=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
RIPK1 Q13546 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.35
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1854700 0.87 MDM2 (0.39) OPRM1OPRD1MEN1KMT2AALDH1A1
SCHEMBL1856828 0.78 FFAR1 (0.48) TRPM8TDP1
SCHEMBL1852280 0.78 FFAR1 (0.48)
SCHEMBL1855683 0.76 TRPM8 (0.45) TRPM8TDP1MEN1KMT2AALDH1A1
SCHEMBL1855561 0.76 MDM2 (0.40) MEN1KMT2A
SCHEMBL1854358 0.71 PLK1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL956967 0.70 KMT2A (0.41) TRPM8MEN1KMT2AALDH1A1LMNA
SCHEMBL1856634 0.69 PTGES (0.41)
SCHEMBL14865109 0.68 MEN1 (0.40) TRPM8TDP1MEN1KMT2A
SCHEMBL2574635 0.67 CYP1A2 (0.38) OPRM1OPRD1MEN1KMT2A

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 5 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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 TRPM8 1887/4885TDP1 4184/4885OPRM1 2792/4885

“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.