SCHEMBL2836041

SCHEMBL2836041

CCCCCCCc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.64
KDM4E B2RXH2 2/20 0.61
CYP4A11 Q02928 2/20 0.58
CYP4F2 P78329 1/20 0.58
PLK1 P53350 3/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
ATM Q13315 1/20 0.57
GALR3 O60755 1/20 0.56
THRA P10827 2/20 0.56
THRB P10828 2/20 0.56
CASP1 P29466 1/20 0.56
BDKRB2 P30411 1/20 0.55
PLK3 Q9H4B4 2/20 0.55

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
SCHEMBL4611858 0.94 TRPV1 (0.72) TRPV1KDM4ECYP4A11CYP4F2PLK1
SCHEMBL4610444 0.94 TRPV1 (0.72) TRPV1KDM4ECYP4A11CYP4F2PLK1
SCHEMBL12440862 0.90 TRPV1 (0.69) TRPV1KDM4EPLK1NPC1RAB9A
SCHEMBL4609340 0.89 NPC1 (0.63) TRPV1KDM4EPLK1NPC1RAB9A
SCHEMBL4610276 0.89 NPC1 (0.63) TRPV1KDM4EPLK1NPC1RAB9A
SCHEMBL12814607 0.89 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRB
SCHEMBL10986414 0.89 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRB
SCHEMBL14660877 0.89 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRB
SCHEMBL6069166 0.89 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRB
SCHEMBL4308585 0.89 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRB

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
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US disclosed
US-7696231-B2 Oxindole hydrazide modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2010-04-13 US disclosed
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US disclosed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP disclosed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 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 (2 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-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) PTPRO, PTPRE, PTPRZ1 TRPV1 2058/4885KDM4E 2215/4885CYP4A11 630/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 TRPV1 2109/4885KDM4E 2146/4885CYP4A11 636/4885

“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.