SCHEMBL629126

SCHEMBL629126

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.53
RXRG P48443 10/20 0.53
RXRB P28702 9/20 0.53
TRPA1 O75762 4/20 0.40
AKR1B1 P15121 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL628814 0.92 RXRA (0.49) RXRARXRGRXRBAKR1B1AGBL2
SCHEMBL10029567 0.82 AGBL2 (0.38) RXRARXRGRXRBAKR1B1PTGDR2
SCHEMBL630423 0.79 RXRA (0.58) RXRARXRGRXRB
Propionic Acid SCHEMBL10435305 0.78 RXRA (0.43) RXRARXRGRXRB
SCHEMBL628828 0.77 F2RL3 (0.38) RXRARXRGRXRBTRPA1
SCHEMBL629167 0.77 RXRA (0.53) RXRARXRGRXRB
SCHEMBL628637 0.74 RXRA (0.53) RXRARXRGRXRBTRPA1PTGDR2
SCHEMBL631128 0.74 RXRA (0.50) RXRARXRGRXRB
SCHEMBL630413 0.74 RXRA (0.50) RXRARXRGRXRB
SCHEMBL630601 0.74 RXRA (0.50) RXRARXRGRXRB

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.