SCHEMBL3983000

SCHEMBL3983000

CS(=O)(=O)NCc1nc2cc(Oc3c(Br)cc(CCC(=O)O)cc3Br)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.47
THRB P10828 15/20 0.47
KDM4E B2RXH2 1/20 0.39
CHRM1 P11229 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
POLB P06746 1/20 0.36
PCNA P12004 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 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
SCHEMBL13576220 0.93 THRA (0.47) THRATHRBKDM4ECHRM1GRIN1
SCHEMBL3982070 0.82 THRA (0.49) THRATHRBKDM4ECHRM1PRKAG1
SCHEMBL4565170 0.82 KDM4E (0.38) KDM4ECHRM1GRIN1GRIN2BPRKAG1
SCHEMBL3982935 0.81 THRA (0.54) THRATHRBPOLBPCNAMAPK1
SCHEMBL4299049 0.75 THRA (0.48) THRATHRBPPARGPPARA
SCHEMBL4299146 0.74 THRA (0.49) THRATHRBPPARGPPARA
SCHEMBL3978262 0.74 HDAC6 (0.48) THRATHRBKDM4EPPARGPPARD
SCHEMBL4528770 0.73 THRA (0.46) THRATHRBPPARGPPARA
SCHEMBL4522420 0.72 THRB (0.55) THRATHRBKDM4EPOLBPCNA
SCHEMBL3977650 0.72 CHEK2 (0.44) THRATHRBPPARGPPARA

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-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 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 (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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA THRA 3/4885THRB 5/4885KDM4E 1775/4885

“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.