SCHEMBL1858002

SCHEMBL1858002

CCC(c1ccc(C(F)(F)F)cc1)N(Cc1ccc2occ(Br)c2c1)C(=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
PPARA Q07869 3/20 0.33
PPARD Q03181 2/20 0.33
MDM2 Q00987 1/20 0.33
POLB P06746 1/20 0.33
OPRK1 P41145 1/20 0.32
SERPINE1 P05121 1/20 0.32
FFAR1 O14842 3/20 0.31
PPARG P37231 3/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
EPHX2 P34913 1/20 0.31
FFAR2 O15552 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
SCHEMBL1854016 0.82 PTGES (0.35) TP53MAPTSMN1; SMN2GPBAR1PPARA
SCHEMBL1855810 0.81 FFAR1 (0.32) TP53MAPTSMN1; SMN2GPBAR1PPARA
SCHEMBL1852666 0.81 FFAR1 (0.32) TP53MAPTSMN1; SMN2GPBAR1PPARA
SCHEMBL1854700 0.81 MDM2 (0.39) MAPTPPARAMDM2OPRK1SERPINE1
SCHEMBL1855561 0.78 MDM2 (0.40) PPARAMDM2OPRK1FFAR1PPARG
SCHEMBL1859074 0.75 GPBAR1 (0.40) TP53SMN1; SMN2GPBAR1MDM2POLB
SCHEMBL1854371 0.74 MAOA (0.35) PPARAPPARDMAOAMAOB
SCHEMBL1858001 0.74 MAPT (0.36) TP53MAPTPPARAPPARDTRPM8
SCHEMBL1850482 0.74 GPBAR1 (0.36) TP53GPBAR1MDM2OPRK1
SCHEMBL1852712 0.73 PLK1 (0.44) MAPTPPARAPPARD

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 TP53 2201/4885MAPT 4575/4885SMN1; SMN2 4878/4885

“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.