Sugi Predict

Sugi Predict / Compounds / SCHEMBL9892288

SCHEMBL9892288

SCHEMBL9892288

CCc1sc(NC(=O)[C@@H]2C[C@@H](O)CN2)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ MAPT P10636 4/20 0.57
▸ HSD17B10 Q99714 4/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ RORC P51449 2/20 0.49
▸ CTSC P53634 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ ALOX5 P09917 1/20 0.40

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
SCHEMBL2122638 0.84 ALDH1A1 (0.62) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL13257016 0.81 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL16254935 0.81 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL14960379 0.76 ALDH1A1 (0.74) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL1914796 0.76 ALDH1A1 (0.62) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL1915738 0.76 ALDH1A1 (0.62) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL9892859 0.75 ALDH1A1 (0.81) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL9892285 0.74 ADORA3 (0.63) MAPTHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL9891918 0.73 ALDH1A1 (0.69) ALDH1A1MAPTHSD17B10HPGDTSHR
SCHEMBL9891524 0.73 ALDH1A1 (0.69) ALDH1A1MAPTHSD17B10HPGDTSHR

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
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 — — US 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
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 ALDH1A1 3279/4885MAPT 4057/4885HSD17B10 3541/4885

“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.