SCHEMBL628828

SCHEMBL628828

COC(=O)Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.38
RXRA P19793 6/20 0.37
RXRB P28702 6/20 0.37
RXRG P48443 6/20 0.37
S1PR1 P21453 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RORB Q92753 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPA1 O75762 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL630830 0.88 RXRA (0.43) F2RL3RXRARXRBRXRGS1PR1
SCHEMBL4183417 0.87 S1PR1 (0.44) F2RL3S1PR1TP53SMN1; SMN2L3MBTL1
SCHEMBL628814 0.84 RXRA (0.49) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL10029558 0.81 KDM4E (0.35) RXRARXRBRXRGLMNAKDM4E
SCHEMBL631613 0.81 RXRA (0.38) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL630808 0.80 RXRA (0.38) F2RL3RXRARXRBRXRGS1PR1
SCHEMBL630567 0.80 NOTUM (0.41) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL19281431 0.80 MRGPRX4 (0.39) F2RL3RXRARXRBRXRGS1PR1
SCHEMBL630422 0.79 RXRA (0.41) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL630502 0.79 CTSA (0.37) RXRARXRBRXRGS1PR1MRGPRX4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
US-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
EP-2419412-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-02-22 EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 F2RL3 441/4885RXRA 11/4885RXRB 5/4885

“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.