SCHEMBL1855508

SCHEMBL1855508

O=C(O)c1cccc(CNCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.61
PPARA Q07869 2/20 0.57
MEP1B Q16820 1/20 0.56
NR1H4 Q96RI1 1/20 0.54
MYC P01106 1/20 0.52
TDO2 P48775 1/20 0.51
NR4A2 P43354 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
SRD5A2 P31213 1/20 0.49
MLYCD O95822 1/20 0.48

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
Hydrochloric Acid SCHEMBL1852091 0.99 MRGPRX4 (0.60) MRGPRX4PPARAMEP1BNR1H4MYC
SCHEMBL184791 0.83 MLYCD (0.51) SMN1; SMN2MLYCD
SCHEMBL25942433 0.82 MEP1B (0.61) MRGPRX4MEP1BNR1H4MYCCA1
SCHEMBL13660508 0.81 MEP1B (0.60) MRGPRX4MEP1BNR1H4MYCCA1
SCHEMBL6419964 0.81 SRD5A2 (0.60) PPARANR1H4SRD5A2
SCHEMBL5227682 0.80 DPP7 (0.57) MLYCD
SCHEMBL28387015 0.79 MEN1 (0.54) SMN1; SMN2
SCHEMBL31227994 0.79 PPARA (0.75) PPARANR1H4AKR1C3AKR1C2
SCHEMBL5044022 0.77 MRGPRX4 (0.56) MRGPRX4SMN1; SMN2MLYCD
SCHEMBL22480951 0.77 MRGPRX4 (0.71) MRGPRX4PPARANR1H4TDO2

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
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

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 2943/4885PPARA 579/4885MEP1B 1808/4885

“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.