SCHEMBL12096680

SCHEMBL12096680

C=C(c1ccc(C(=O)O)cc1)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 6/20 0.52
▸ PHGDH O43175 5/20 0.50
▸ PPARG P37231 6/20 0.44
▸ PPARD Q03181 3/20 0.44
▸ PPARA Q07869 4/20 0.43
▸ NOD2 Q9HC29 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ CCR2 P41597 1/20 0.40

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
SCHEMBL12096852 0.83 ACLY (0.53) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL27884477 0.81 PHGDH (0.44) ACLYPHGDHCCR2
SCHEMBL12096941 0.81 PPARG (0.52) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL12096736 0.79 ACLY (0.49) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL12096850 0.79 RXRA (0.49) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL12096936 0.76 ACLY (0.52) ACLYPHGDHPPARGPPARDPPARA
SCHEMBL12096711 0.75 PPARG (0.52) ACLYPPARGPPARDPPARACCR2
SCHEMBL741459 0.74 ACLY (0.64) ACLYPPARGPPARDPPARANOD2
SCHEMBL3529263 0.74 PPARG (0.78) PPARGPPARDPPARA
SCHEMBL12096639 0.74 PPARG (0.45) ACLYPHGDHPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease LABORATOIRES FOURNIER SA (FR) 2012-09-13 — — 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-20120232070-A1 Use of Indole Derivatives as Nurr-1 Activators for the Application Thereof as a Medicament for the Treatment of Parkinson's Disease NCOR1, NR0B1, MTNR1A ACLY 3538/4885PHGDH 4539/4885PPARG 423/4885

“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.

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