SCHEMBL629987

SCHEMBL629987

FC(F)(F)c1cc(-c2nc(Cc3nn[nH]n3)cs2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.53
CYP1A2 P05177 1/20 0.37
CASP3 P42574 1/20 0.36
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GFER P55789 1/20 0.35
PDPK1 O15530 1/20 0.35
EIF4E P06730 2/20 0.35
LRRK2 Q5S007 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
SCHEMBL13148919 0.83 SLC22A12 (0.40) GFEREIF4E
SCHEMBL630552 0.79 RHOC (0.39) RHOCRHOACTSKPDPK1
SCHEMBL13148918 0.76 POLB (0.39) NOTUMRHOCRHOACTSKPDPK1
SCHEMBL628055 0.75 LMNA (0.60) NOTUMRHOCRHOAEIF4E
SCHEMBL13150451 0.75 NOTUM (0.44) NOTUMCASP3RHOCRHOAGFER
SCHEMBL13148647 0.68 KDM4E (0.39) NOTUMCASP3RHOCRHOACTSS
SCHEMBL9028719 0.64 EIF4E (0.49) GFEREIF4E
SCHEMBL628118 0.63 LMNA (0.60)
SCHEMBL13148538 0.63 KDM4E (0.45) CTSSCTSK
SCHEMBL2698021 0.63 NOTUM (0.61) NOTUMCYP1A2CASP3PDE3BPDE3A

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 6 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
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 NOTUM 3362/4885CYP1A2 3111/4885CASP3 3232/4885

“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.