SCHEMBL629099

SCHEMBL629099

COc1ccc(-c2nc(CC(=O)O)cs2)cc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.74
ALDH1A1 P00352 6/20 0.74
HPGD P15428 3/20 0.74
GAA P10253 2/20 0.74
LMNA P02545 1/20 0.56
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
SHMT2 P34897 1/20 0.47
TP53 P04637 2/20 0.46
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44

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
SCHEMBL628118 0.84 LMNA (0.60) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL10029581 0.83 KDM4E (0.81) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL629896 0.83 LMNA (0.65) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL628055 0.82 LMNA (0.60) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL18002627 0.79 RAB9A (0.54) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL627996 0.78 S1PR1 (0.50) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL21032810 0.77 KDM4E (1.00) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL5025486 0.77 LMNA (0.72) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL629535 0.77 LMNA (0.56) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL18003043 0.77 MAPT (0.58) KDM4EALDH1A1HPGDGAASMN1; SMN2

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 3 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
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 KDM4E 751/4885ALDH1A1 1164/4885HPGD 4316/4885

“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.