SCHEMBL9893016

SCHEMBL9893016

CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
PKM P14618 2/20 0.75
HTT P42858 1/20 0.62
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
ALOX5 P09917 1/20 0.55
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
CFTR P13569 1/20 0.53
DYRK1A Q13627 2/20 0.52
PDPK1 O15530 1/20 0.52
GSTO1 P78417 1/20 0.52
HSD17B10 Q99714 2/20 0.51
XIAP P98170 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL15086878 0.85 ALOX5 (0.74) ALDH1A1PKMHTTKMT2AMEN1
SCHEMBL9892339 0.85 ALDH1A1 (0.70) ALDH1A1PKMHTTKMT2AMEN1
SCHEMBL9891800 0.85 ALDH1A1 (0.70) ALDH1A1PKMHTTKMT2AMEN1
SCHEMBL9893110 0.85 ALDH1A1 (0.70) ALDH1A1PKMHTTKMT2AMEN1
SCHEMBL205687 0.82 KMT2A (0.67) ALDH1A1PKMHTTKMT2AMEN1
SCHEMBL2398520 0.78 ALDH1A1 (0.76) ALDH1A1PKMHTTKMT2AMEN1
SCHEMBL2398140 0.78 ALDH1A1 (0.76) ALDH1A1PKMHTTKMT2AMEN1
SCHEMBL4263870 0.77 ALDH1A1 (0.59) ALDH1A1PKMHTTKMT2AMEN1
SCHEMBL2301495 0.77 ALDH1A1 (0.62) ALDH1A1PKMHTTKMT2AMEN1
SCHEMBL30410499 0.75 KCNH2 (0.58) ALDH1A1PKMKMT2AMEN1KDM4E

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
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US 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 3279/4885PKM 2979/4885HTT 3335/4885

“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.