SCHEMBL7230331

SCHEMBL7230331

CCCCCc1n[nH]c2ccc(Oc3c(C)cc(NCC(=O)O)cc3C)cc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.51
THRA P10827 10/20 0.51
TTK P33981 2/20 0.35
MAPK8 P45983 2/20 0.35
TSHR P16473 1/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL7138045 0.88 THRA (0.48) THRBTHRATTKMAPK8
SCHEMBL7133145 0.87 THRA (0.60) THRBTHRATTKMAPK8
SCHEMBL7133369 0.85 THRA (0.49) THRBTHRATTKMAPK8
SCHEMBL7225729 0.84 THRA (0.53) THRBTHRATTKMAPK8
SCHEMBL7135874 0.83 THRA (0.73) THRBTHRA
SCHEMBL7198479 0.82 THRA (0.47) THRBTHRATTKMAPK8GSK3B
SCHEMBL7130591 0.81 THRA (0.44) THRBTHRATTKMAPK8GSK3B
SCHEMBL7140230 0.80 THRA (0.53) THRBTHRATTKMAPK8
SCHEMBL7135882 0.80 THRA (0.43) THRBTHRATTKMAPK8GSK3B
SCHEMBL7138386 0.79 THRA (0.43) THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608049-B2 Indazoles BAYER AKTIENGESELLSCHAFT (DE) 2003-08-19 US disclosed
US-20020193610-A1 Indazoles BAYER AKTIENGESELLSCHAFT (DE) 2002-12-19 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-20020193610-A1 Indazoles CYP3A43, CYP3A5, CYP3A4 THRB 4025/4885THRA 3910/4885TTK 2934/4885

“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.