SCHEMBL953628

SCHEMBL953628

COC(=O)c1sc(-c2c(C)nn3ccccc23)nc1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 9/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
RPS6KB1 P23443 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
NTRK2 Q16620 1/20 0.37
AURKB Q96GD4 1/20 0.37
PTGER1 P34995 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL955566 0.90 TRPM8 (0.43) TRPM8HCRTR1HCRTR2LMNAPTGER1
SCHEMBL956834 0.89 TRPM8 (0.43) TRPM8HCRTR1HCRTR2LMNAPTGER1
SCHEMBL953824 0.87 NPC1 (0.37) TRPM8F2RL3MAPTCDC7DBF4
SCHEMBL952522 0.86 CDC7 (0.39) TRPM8F2RL3CDC7DBF4KDM4E
SCHEMBL958092 0.84 TRPM8 (0.38) TRPM8LMNAMAPTCDC7DBF4
SCHEMBL952025 0.83 TRPM8 (0.38) TRPM8MAPTCDC7DBF4KDM4E
SCHEMBL957443 0.83 TSHR (0.39) TRPM8LMNAMAPTKDM4EALDH1A1
SCHEMBL953252 0.83 ALDH1A1 (0.38) LMNAMAPTCDC7DBF4KDM4E
SCHEMBL951855 0.83 TSHR (0.36) TRPM8F2RL3LMNAMAPTTP53
SCHEMBL953629 0.80 CDC7 (0.50) TRPM8LMNAMAPTGSK3BCDC7

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 2427/4885HCRTR1 3328/4885HCRTR2 3261/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TRPM8 4834/4885HCRTR1 1025/4885HCRTR2 1270/4885

“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.