SCHEMBL12320222

SCHEMBL12320222

CCc1ccc2c(ccn2CC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
PPARD Q03181 8/20 0.49
PPARA Q07869 7/20 0.49
PPARG P37231 4/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PLA2G4A P47712 2/20 0.43
OXER1 Q8TDS5 1/20 0.42
NTSR1 P30989 3/20 0.41

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
SCHEMBL23512372 0.88 KMT2A (0.51) KMT2APPARDPPARAPPARGTP53
SCHEMBL14457826 0.88 KMT2A (0.57) KMT2APPARDPPARAPPARGAKR1C3
SCHEMBL23612457 0.85 KMO (0.54) PPARDPPARAPPARGTP53MAPT
SCHEMBL9191040 0.84 KMT2A (0.57) KMT2APPARDPPARAPPARGPLA2G4A
SCHEMBL14594510 0.84 ATM (0.55) TP53MAPTPLA2G4A
SCHEMBL5537950 0.81 KMT2A (0.60) KMT2APPARDPPARAPPARGMAPT
SCHEMBL12257510 0.80 RORC (0.45) KMT2AMAPT
SCHEMBL27602809 0.79 KDM4E (0.53) KMT2APPARDPPARAPPARGMAPT
SCHEMBL4234811 0.79 KMT2A (0.62) KMT2APPARDPPARAPPARGNTSR1
SCHEMBL30103437 0.79 KMT2A (0.62) KMT2APPARDPPARAPPARGNTSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 US disclosed
US-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-08-16 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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 (3 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KMT2A 1679/4885PPARD 2160/4885PPARA 1610/4885
US-20070191371-A1 HETEROCYCLIC MODULATORS OF PPAR PPARG, PPARD, PPARA KMT2A 3767/4885PPARD 2/4885PPARA 3/4885
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, AQP4, NDUFS3 KMT2A 2776/4885PPARD 798/4885PPARA 1710/4885

“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.