SCHEMBL631924

SCHEMBL631924

COC(=O)CCc1nc(-c2cc(-c3cccs3)cc(C(F)(F)F)c2)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SDHB P21912 1/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL631614 0.89 RXRA (0.49) RXRARXRBRXRGALDH1A1JUN
SCHEMBL630830 0.87 RXRA (0.43) RXRARXRBRXRGRPS6KB2GLA
SCHEMBL630546 0.83 RXRA (0.37) RXRARXRBRXRGRPS6KB2ALDH1A1
SCHEMBL631613 0.83 RXRA (0.38) RXRARXRBRXRGRPS6KB2GLA
SCHEMBL4188103 0.82 S1PR1 (0.45) ALDH1A1HPGDLMNASMN1; SMN2TP53
SCHEMBL630808 0.82 RXRA (0.38) RXRARXRBRXRGRPS6KB2GAA
SCHEMBL630567 0.82 NOTUM (0.41) RXRARXRBRXRGRPS6KB2ALDH1A1
SCHEMBL630422 0.81 RXRA (0.41) RXRARXRBRXRGRPS6KB2GLA
SCHEMBL630502 0.80 CTSA (0.37) RXRARXRBRXRGGAAHPGD
SCHEMBL630550 0.79 RXRA (0.36) RXRARXRBRXRGRPS6KB2GLA

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-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
EP-2419413-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
WO-2010119992-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 RXFP1 1530/4885RXRA 23/4885RXRB 53/4885

“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.