SCHEMBL9891898

SCHEMBL9891898

CC(C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.59
RAB9A P51151 1/20 0.59
MAPK1 P28482 3/20 0.58
CAPN1 P07384 2/20 0.58
ROCK1 Q13464 2/20 0.57
TYR P14679 1/20 0.57
ATM Q13315 1/20 0.57
CDC25A P30304 1/20 0.57
CDC25B P30305 1/20 0.57
CDC25C P30307 1/20 0.57
HTT P42858 1/20 0.57
ALOX5 P09917 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
PRKACA P17612 1/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL28584177 0.87 ALOX5 (0.69) LMNAKMT2AMEN1RAB9AMAPK1
SCHEMBL9891792 0.86 ABL1 (0.72) LMNAKMT2AMEN1RAB9AMAPK1
SCHEMBL2752589 0.86 LMNA (0.68) LMNAKMT2AMEN1RAB9AMAPK1
SCHEMBL4787902 0.84 ABL1 (0.74) LMNAKMT2AMEN1RAB9AMAPK1
SCHEMBL10922743 0.84 KMT2A (0.70) LMNAKMT2AMEN1RAB9AMAPK1
SCHEMBL10809273 0.84 LMNA (0.82) LMNAKMT2AMEN1RAB9AMAPK1
SCHEMBL13015623 0.81 KMT2A (0.62) LMNAKMT2AMEN1RAB9AMAPK1
SCHEMBL14085826 0.81 KMT2A (0.74) LMNAKMT2AMEN1RAB9AMAPK1
SCHEMBL3178473 0.81 KMT2A (0.62) LMNAKMT2AMEN1RAB9AMAPK1
SCHEMBL29276744 0.80 KMT2A (0.58) LMNAKMT2AMEN1RAB9AMAPK1

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 2 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

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 LMNA 4696/4885KMT2A 3551/4885MEN1 4874/4885

“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.