SCHEMBL628118

SCHEMBL628118

Cc1ccc(-c2nc(CC(=O)O)cs2)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
SHMT2 P34897 1/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.44
TP53 P04637 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43

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
SCHEMBL13148538 0.88 KDM4E (0.45) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL629896 0.86 LMNA (0.65) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL628055 0.85 LMNA (0.60) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL629099 0.84 KDM4E (0.74) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL10029572 0.84 KDM4E (0.65) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL10029573 0.81 LMNA (0.68) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL5025486 0.80 LMNA (0.72) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL629535 0.80 LMNA (0.56) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL14069952 0.79 MAPT (0.64) LMNAALDH1A1HPGDGAASMN1; SMN2
SCHEMBL25410911 0.78 LMNA (0.73) LMNAKDM4EALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459203-A Compositions and methods for modulating retinol binding to retinol binding protein 4(RBP4) IRM LLC 2012-05-16 CN 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
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 LMNA 1913/4885KDM4E 751/4885ALDH1A1 1164/4885

“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.