SCHEMBL1857664

SCHEMBL1857664

CCCCCCCCc1ccc(NC(=O)c2ccc(CN(C(=O)C(=O)O)C(CC)c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.50
TRPV1 Q8NER1 5/20 0.46
PLK3 Q9H4B4 4/20 0.45
KDM4E B2RXH2 2/20 0.45
NR1H4 Q96RI1 1/20 0.42
NPC1 O15118 1/20 0.42
GALR3 O60755 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
PTGS1 P23219 1/20 0.41

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
SCHEMBL1853736 1.00 PLK1 (0.50) PLK1TRPV1PLK3KDM4ENR1H4
SCHEMBL1852712 0.91 PLK1 (0.44) PLK1PLK3
SCHEMBL1854358 0.90 PLK1 (0.43) PLK1PLK3
SCHEMBL1854194 0.86 PLK1 (0.58) PLK1TRPV1PLK3KDM4ENR1H4
SCHEMBL1854267 0.86 PLK1 (0.58) PLK1TRPV1PLK3KDM4ENR1H4
SCHEMBL1853974 0.85 TMEM97 (0.49) PLK1
SCHEMBL1857802 0.85 PTPN11 (0.42) PLK1PLK3
SCHEMBL4318975 0.85 PTPN11 (0.42) PLK1PLK3
SCHEMBL1856911 0.83 TMEM97 (0.47)
SCHEMBL4330616 0.82 NPC1 (0.51) KDM4ENR1H4NPC1RAB9AHIF1A

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 PLK1 1508/4885TRPV1 1229/4885PLK3 1667/4885

“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.