SCHEMBL3137491

SCHEMBL3137491

CCn1c(CC(C)C)nc2ccc(Oc3c(Br)cc(C(=O)N[C@@H](C)C(=O)O)cc3Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.41
THRB P10828 7/20 0.41
ACSS2 Q9NR19 5/20 0.40
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 1/20 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
SCHEMBL3137483 1.00 THRA (0.41) THRATHRBACSS2LMNAHTT
SCHEMBL3142267 0.88 THRA (0.41) THRATHRBACSS2LMNAHTT
SCHEMBL3141794 0.82 THRA (0.40) THRATHRBACSS2LMNA
SCHEMBL3131701 0.82 ACSS2 (0.48) THRATHRBACSS2PPARG
SCHEMBL3140462 0.76 THRA (0.43) THRATHRB
SCHEMBL3140469 0.76 THRA (0.43) THRATHRB
SCHEMBL3145777 0.73 THRA (0.51) THRATHRB
SCHEMBL3141933 0.73 THRA (0.42) THRATHRB
SCHEMBL3141938 0.73 THRA (0.42) THRATHRB
SCHEMBL3130577 0.72 ACSS2 (0.40) THRATHRBACSS2LMNAPPARG

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR THRA 4/4885THRB 6/4885ACSS2 519/4885

“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.