SCHEMBL627996

SCHEMBL627996

COc1ccc(-c2nc(CC(=O)O)co2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.50
S1PR5 Q9H228 4/20 0.50
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
GSK3B P49841 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
LMNA P02545 1/20 0.41
S1PR3 Q99500 3/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL4278957 0.86 ALDH1A1 (0.60) KDM4EALDH1A1GAAHPGDLMNA
SCHEMBL628001 0.83 LMNA (0.46) RXRARXRBRXRGGAAHPGD
SCHEMBL10029578 0.83 GAA (0.48) S1PR1KDM4EALDH1A1GAAHPGD
SCHEMBL12521389 0.82 S1PR1 (0.50) S1PR1S1PR5KDM4EALDH1A1GSK3B
SCHEMBL629099 0.78 KDM4E (0.74) S1PR1S1PR5RXRARXRBRXRG
SCHEMBL4278834 0.76 S1PR1 (0.50) S1PR1KDM4EALDH1A1HPGDLMNA
SCHEMBL628808 0.76 LMNA (0.41) RXRARXRBRXRGGAAHPGD
SCHEMBL629626 0.76 RXRA (0.57) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL628795 0.74 RXRA (0.49) S1PR1RXRARXRBRXRGGAA
SCHEMBL13148639 0.74 MPL (0.41) GAAHPGDCTSSCTSKPPARG

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 S1PR1 1193/4885S1PR5 1138/4885RXRA 11/4885

“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.