SCHEMBL1853385

SCHEMBL1853385

CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.54
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC2A1 P11166 1/20 0.45
NR4A2 P43354 2/20 0.45
PTGES O14684 1/20 0.44
PPARA Q07869 1/20 0.43
RXRA P19793 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL1857874 0.88 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL14004878 0.80 HDAC3 (0.66) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL1853690 0.80 HDAC3 (0.58) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL2770342 0.80 PKM (0.47) MRGPRX4HDAC3HDAC1HDAC2NCOR2
SCHEMBL2056134 0.79 HDAC3 (0.49) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL4830438 0.78 MEN1 (0.49) MRGPRX4MEN1KMT2ANR1H4MEP1A
SCHEMBL1855000 0.78 HDAC1 (0.44) MRGPRX4HDAC3HDAC1HDAC2NCOR2
SCHEMBL6066375 0.77 MRGPRX4 (0.56) MRGPRX4HDAC3HDAC1HDAC2NCOR2
SCHEMBL1849184 0.77 SSTR4 (0.51) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL1852981 0.76 HDAC3 (0.45) HDAC3HDAC1HDAC2NCOR2MEN1

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 7 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
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN 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 MRGPRX4 2943/4885HDAC3 1478/4885HDAC1 2136/4885

“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.