SCHEMBL5022927

SCHEMBL5022927

CCc1c(-c2ccc(Cl)cc2)nn(C)c1COc1ccc2ccn(CC(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.47
PPARD Q03181 8/20 0.42
PPARA Q07869 7/20 0.42
PPARG P37231 5/20 0.42
BCL2 P10415 3/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL5026984 0.90 MCL1 (0.41) MCL1PPARDPPARAPPARGBCL2
SCHEMBL5023827 0.89 MCL1 (0.48) MCL1PPARDPPARAPPARGBCL2
SCHEMBL5016822 0.82 MCL1 (0.46) MCL1BCL2
SCHEMBL5016786 0.81 MCL1 (0.51) MCL1PPARDPPARAPPARGBCL2
SCHEMBL5023397 0.78 PPARD (0.56) MCL1PPARDPPARAPPARG
SCHEMBL5025641 0.78 PPARD (0.55) MCL1PPARDPPARAPPARG
SCHEMBL6064586 0.74 PPARG (0.42) PPARDPPARAPPARG
SCHEMBL5023828 0.74 MCL1 (0.46) MCL1PPARDPPARAPPARGBCL2
SCHEMBL5023821 0.73 PPARD (0.52) MCL1PPARDPPARAPPARGBCL2
SCHEMBL7566431 0.72 PPARG (0.60) MCL1PPARDPPARAPPARG

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
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG MCL1 2737/4885PPARD 1/4885PPARA 2/4885

“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.