SCHEMBL9893009

SCHEMBL9893009

CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 1.00
GSTO1 P78417 1/20 0.68
RAB9A P51151 3/20 0.67
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
NPC1 O15118 2/20 0.65
MAPT P10636 3/20 0.64
EGFR P00533 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 1/20 0.62
STAT3 P40763 1/20 0.62
ALDH1A1 P00352 2/20 0.61
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
GAA P10253 1/20 0.60
GFER P55789 1/20 0.60

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
SCHEMBL10808572 0.88 MEN1 (0.82) ABL1GSTO1RAB9AKMT2AMEN1
SCHEMBL10924496 0.88 ABL1 (0.78) ABL1GSTO1RAB9AKMT2AMEN1
SCHEMBL28580584 0.86 ABL1 (0.76) ABL1RAB9AKMT2AMEN1NPC1
SCHEMBL28200307 0.86 ABL1 (0.76) ABL1GSTO1RAB9AKMT2AMEN1
SCHEMBL16607165 0.86 ABL1 (0.74) ABL1RAB9AKMT2AMEN1MAPT
SCHEMBL11290339 0.86 ABL1 (0.73) ABL1GSTO1RAB9AKMT2AMEN1
SCHEMBL23604714 0.85 ABL1 (0.74) ABL1GSTO1RAB9AKMT2AMEN1
SCHEMBL15688730 0.85 ABL1 (0.74) ABL1RAB9AKMT2AMEN1NPC1
SCHEMBL4787902 0.85 ABL1 (0.74) ABL1RAB9AKMT2AMEN1NPC1
SCHEMBL6638228 0.85 ABL1 (0.74) ABL1GSTO1RAB9AKMT2AMEN1

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
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ABL1 2669/4885GSTO1 3615/4885RAB9A 2299/4885

“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.