SCHEMBL628437

SCHEMBL628437

COC(=O)Cc1csc(-c2cc(C=O)cc(C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 6/20 0.43
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
SHMT2 P34897 1/20 0.40
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL628077 0.90 RHOC (0.50) LMNAHTTTP53RHOCRHOA
SCHEMBL627613 0.84 LMNA (0.45) LMNAHTTTP53RHOCRHOA
SCHEMBL628421 0.83 LMNA (0.43) LMNAHTTTP53RHOCRHOA
SCHEMBL5017463 0.80 LMNA (0.61) LMNAHTTTP53ALDH1A1HPGD
SCHEMBL10029559 0.75 ALDH1A1 (0.50) HTTTP53ALDH1A1HPGDKDM4E
SCHEMBL627651 0.75 LMNA (0.59) LMNAHTTTP53RHOCRHOA
SCHEMBL628106 0.74 KDM4E (0.62) LMNAHTTTP53ALDH1A1HPGD
SCHEMBL13148954 0.72 LMNA (0.47) LMNAHTTTP53RHOCRHOA
SCHEMBL2764406 0.72 KDM4E (0.60) LMNAALDH1A1HPGDKDM4EGAA
SCHEMBL4905943 0.71 POLB (0.62) LMNAHTTTP53KDM4EPOLB

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 LMNA 1913/4885HTT 3970/4885TP53 2974/4885

“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.