SCHEMBL628459

SCHEMBL628459

NC(=S)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CES2 O00748 1/20 0.41
SLC13A3 Q8WWT9 1/20 0.38
ASH1L Q9NR48 1/20 0.38
ACLY P53396 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
PLAU P00749 1/20 0.37
DDR1 Q08345 3/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL627496 0.86 GAA (0.56) ALDH1A1GAALMNAPOLBMAPT
SCHEMBL2242247 0.81 CES2 (0.50) GAALMNAPOLBMAPTNPSR1
SCHEMBL3587300 0.79 MAPT (0.46) ALDH1A1GAALMNAMAPTCTSL
SCHEMBL12128243 0.78 GAA (0.46) ALDH1A1GAACES2ASH1LCTSL
SCHEMBL11954589 0.78 GAA (0.50) ALDH1A1GAALMNAPOLBMAPT
SCHEMBL11298235 0.77 GAA (0.53) ALDH1A1GAACES2ASH1LCTSL
SCHEMBL12128276 0.77 CTSL (0.47) ALDH1A1GAACES2ASH1LCTSL
SCHEMBL1198001 0.77 NOTUM (0.53) ALDH1A1GAACES2ASH1LCTSL
SCHEMBL3587775 0.77 GAA (0.49) ALDH1A1GAAMAPTCES2ASH1L
SCHEMBL12291896 0.77 CES2 (0.41) GAALMNAPOLBMAPTNPSR1

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
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
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 ALDH1A1 1164/4885GAA 4802/4885LMNA 1913/4885

“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.