SCHEMBL956857

SCHEMBL956857

COC(=O)c1sc(-c2c(C)nn3ccc(OCc4ccccc4)cc23)nc1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.49
SCD O00767 4/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
EPHB3 P54753 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TSHR P16473 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
ALKBH1 Q13686 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SRD5A2 P31213 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL953882 0.85 SCD (0.39) TRPM8SCDEPHB3MEN1KMT2A
SCHEMBL951783 0.83 CDC7 (0.43) SCDCDC7DBF4EPHB3SMN1; SMN2
SCHEMBL953207 0.82 CDC7 (0.52) TRPM8CDC7DBF4MEN1KMT2A
SCHEMBL953720 0.81 TRPM8 (0.40) TRPM8SCDCDC7DBF4MEN1
SCHEMBL953256 0.81 CDC7 (0.44) SCDCDC7DBF4EPHB3MEN1
SCHEMBL952954 0.81 TRPM8 (0.55) TRPM8CDC7DBF4MEN1KMT2A
SCHEMBL957485 0.79 SCD (0.40) SCDCDC7DBF4EPHB3MEN1
SCHEMBL957103 0.79 CDC7 (0.42) TRPM8SCDCDC7DBF4MEN1
SCHEMBL953838 0.78 CDC7 (0.44) SCDCDC7DBF4EPHB3MEN1
SCHEMBL952647 0.78 PLK1 (0.37) SCDF2RL3

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 TRPM8 2427/4885SCD 2732/4885CDC7 601/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TRPM8 4834/4885SCD 914/4885CDC7 1063/4885

“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.