SCHEMBL628814

SCHEMBL628814

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.49
RXRG P48443 13/20 0.49
RXRB P28702 12/20 0.49
AKR1B1 P15121 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KMO O15229 1/20 0.36
S1PR1 P21453 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL629126 0.92 RXRA (0.53) RXRARXRGRXRBAKR1B1AGBL2
SCHEMBL630423 0.86 RXRA (0.58) RXRARXRGRXRBS1PR1
Propionic Acid SCHEMBL10435305 0.85 RXRA (0.43) RXRARXRGRXRBS1PR1MRGPRX4
SCHEMBL628828 0.84 F2RL3 (0.38) RXRARXRGRXRBS1PR1MRGPRX4
SCHEMBL630830 0.79 RXRA (0.43) RXRARXRGRXRBS1PR1MRGPRX4
SCHEMBL630413 0.78 RXRA (0.50) RXRARXRGRXRBS1PR1MRGPRX4
SCHEMBL630601 0.78 RXRA (0.50) RXRARXRGRXRBS1PR1
SCHEMBL631128 0.78 RXRA (0.50) RXRARXRGRXRBS1PR1
SCHEMBL10029561 0.78 RXRA (0.42) RXRARXRGRXRBAKR1B1AGBL2
SCHEMBL19281422 0.77 GRK6 (0.43) RXRARXRGRXRBMRGPRX4

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 RXRA 11/4885RXRG 10/4885RXRB 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.