SCHEMBL9891920

SCHEMBL9891920

CC(C)C(=O)Nc1nc(C(F)(F)F)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.63
LMNA P02545 3/20 0.50
TYR P14679 1/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
GRM5 P41594 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 2/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL77851 0.86 FFAR2 (0.62) FFAR2LMNATYRMEN1KMT2A
SCHEMBL6239068 0.82 L3MBTL1 (0.56) FFAR2LMNATYRMEN1KMT2A
SCHEMBL25057081 0.80 FFAR2 (0.47) FFAR2LMNAMEN1KMT2AALDH1A1
SCHEMBL3610148 0.80 FFAR2 (0.51) FFAR2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13015672 0.79 TMIGD3 (0.56) FFAR2LMNATYRMEN1KMT2A
SCHEMBL27944093 0.77 TYR (0.57) FFAR2LMNATYRMEN1KMT2A
SCHEMBL9570949 0.77 MAPT (0.60) FFAR2LMNATYRKMT2ASMN1; SMN2
SCHEMBL1620889 0.76 FFAR2 (0.49) FFAR2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23703017 0.76 FFAR2 (0.48) FFAR2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12894450 0.76 CYP1A2 (0.53) FFAR2LMNATYRMEN1KMT2A

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
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
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 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 (2 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 FFAR2 190/4885LMNA 4696/4885TYR 2678/4885
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 FFAR2 90/4885LMNA 4481/4885TYR 2175/4885

“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.