SCHEMBL953882

SCHEMBL953882

COC(=O)c1sc(-c2c(C)nn3ccc(OCc4ccccc4)cc23)nc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.39
F2RL3 Q96RI0 4/20 0.39
EPHB3 P54753 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
PLA2G2A P14555 1/20 0.33
NR1H2 P55055 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL956857 0.85 TRPM8 (0.49) SCDF2RL3EPHB3MEN1KMT2A
SCHEMBL952283 0.85 TRPM8 (0.36) MEN1KMT2ATRPM8
SCHEMBL953720 0.80 TRPM8 (0.40) SCDMEN1KMT2ATRPM8
SCHEMBL951974 0.79 TRPM8 (0.41) MEN1KMT2AHSP90AA1TRPM8
SCHEMBL951783 0.78 CDC7 (0.43) SCDEPHB3PPARD
SCHEMBL953424 0.77 TSHR (0.39) F2RL3MEN1KMT2AHSP90AA1TRPM8
SCHEMBL953207 0.77 CDC7 (0.52) MEN1KMT2AHSP90AA1TRPM8
SCHEMBL953256 0.76 CDC7 (0.44) SCDEPHB3PPARDMEN1KMT2A
SCHEMBL957485 0.76 SCD (0.40) SCDEPHB3PPARDMEN1KMT2A
SCHEMBL957103 0.75 CDC7 (0.42) SCDMEN1KMT2AHSP90AA1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 SCD 2732/4885F2RL3 4796/4885EPHB3 4319/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SCD 914/4885F2RL3 2057/4885EPHB3 2375/4885

“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.