SCHEMBL3140401

SCHEMBL3140401

Cc1nnc2ccc(Oc3c(Br)cc(C(=O)NC(C(=O)O)C(C)C)cc3Br)cc2c1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.45
THRB P10828 11/20 0.45
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
GRM4 Q14833 1/20 0.37
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
GPR132 Q9UNW8 2/20 0.35

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
SCHEMBL3140412 1.00 THRA (0.45) THRATHRBNPSR1PPARGPPARA
Alanine SCHEMBL5073607 0.81 THRB (0.41) THRATHRBGRM4
Alanine SCHEMBL5073599 0.81 THRB (0.41) THRATHRBGRM4
SCHEMBL3137311 0.81 THRB (0.42) THRATHRB
SCHEMBL5073611 0.77 GRM4 (0.34) THRATHRBGRM4
SCHEMBL4356925 0.76 THRA (0.74) THRATHRB
SCHEMBL5619344 0.76 THRA (0.74) THRATHRB
SCHEMBL3131333 0.75 THRA (0.39) THRATHRBPPARGGRM4
SCHEMBL3140469 0.74 THRA (0.43) THRATHRB
SCHEMBL3140462 0.74 THRA (0.43) THRATHRB

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-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO 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-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY LRRK2, PARK7, PINK1 THRA 3916/4885THRB 2897/4885NPSR1 2567/4885
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR THRA 4/4885THRB 6/4885NPSR1 208/4885

“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.