SCHEMBL12760574

SCHEMBL12760574

CCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1S(=O)(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.50
▸ THRB P10828 2/20 0.50
▸ SMPD1 P17405 6/20 0.48
▸ MGLL Q99685 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PLA2G2D Q9UNK4 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43

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
SCHEMBL11887248 0.86 THRA (0.55) THRATHRBSMPD1ALDH1A1HPGD
SCHEMBL6514520 0.84 THRA (0.53) THRATHRBSMPD1MGLLALDH1A1
SCHEMBL13557087 0.83 THRA (0.47) THRATHRBSMPD1ALDH1A1HPGD
SCHEMBL11888422 0.81 MAPT (0.51) ALDH1A1HPGD
SCHEMBL24950547 0.80 SMPD1 (0.67) THRATHRBSMPD1MGLLALDH1A1
SCHEMBL9565566 0.80 SMPD1 (0.67) THRATHRBSMPD1MGLLALDH1A1
SCHEMBL9304902 0.80 SMPD1 (0.67) THRATHRBSMPD1MGLLALDH1A1
SCHEMBL967401 0.80 SMPD1 (0.67) THRATHRBSMPD1MGLLALDH1A1
SCHEMBL9306905 0.79 THRA (0.65) THRATHRBSMPD1MGLL
SCHEMBL9306887 0.79 THRA (0.65) THRATHRBSMPD1MGLL

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-7910616-B2 Proteasome inhibitors NEREUS PHARMACEUTICALS, INC. (US) 2011-03-22 — — US disclosed
US-20090298906-A1 PROTEASOME INHIBITORS NEREUS PHARMACEUTICALS, INC. (US) 2009-12-03 — — 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-20090298906-A1 PROTEASOME INHIBITORS PSMB1, PSME1, PSME3 THRA 4221/4885THRB 3496/4885SMPD1 1787/4885

“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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