SCHEMBL1850482

SCHEMBL1850482

CCC(c1ccc(C(F)(F)F)cc1)N(Cc1ccc(Br)c2ccccc12)C(=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 3/20 0.35
TP53 P04637 1/20 0.35
CNR2 P34972 1/20 0.34
OPRK1 P41145 1/20 0.34
GPR139 Q6DWJ6 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
MTOR P42345 1/20 0.33
ACP3 P15309 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
TACR1 P25103 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1859074 0.87 GPBAR1 (0.40) GPBAR1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1856734 0.81 PPARG (0.41) CYP2C9CNR2
SCHEMBL1855618 0.79 CYSLTR2 (0.37) GPBAR1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1851834 0.79 CYSLTR2 (0.37) GPBAR1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1854700 0.78 MDM2 (0.39) CNR2OPRK1MTORMDM2
SCHEMBL1855561 0.75 MDM2 (0.40) OPRK1MTORCETPMDM2
SCHEMBL1858002 0.74 TP53 (0.35) GPBAR1TP53OPRK1MDM2
SCHEMBL1852712 0.71 PLK1 (0.44) MTOR
SCHEMBL4313217 0.71 MTTP (0.38) GPBAR1CYP3A4CYP2C9CYP2C19CNR2
SCHEMBL1854358 0.70 PLK1 (0.43) MTOR

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 GPBAR1 593/4885CYP3A4 3603/4885CYP2C9 3023/4885

“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.