SCHEMBL958092

SCHEMBL958092

COC(=O)c1sc(-c2c(C)nn3ccccc23)nc1-c1c(C)cccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
VCP P55072 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL957443 0.90 TSHR (0.39) TRPM8RAB9ANPC1HPGDGAA
SCHEMBL953824 0.90 NPC1 (0.37) TRPM8RAB9ANPC1HPGDALDH1A1
SCHEMBL953497 0.88 CDC7 (0.39) RAB9ANPC1GAAALDH1A1MEN1
SCHEMBL951855 0.86 TSHR (0.36) TRPM8RAB9ANPC1HPGDMEN1
SCHEMBL953569 0.86 KMT2A (0.39) TRPM8RAB9ANPC1HPGDGAA
SCHEMBL953252 0.86 ALDH1A1 (0.38) RAB9ANPC1HPGDGAAALDH1A1
SCHEMBL952954 0.85 TRPM8 (0.55) TRPM8RAB9ANPC1HPGDGAA
SCHEMBL953628 0.84 TRPM8 (0.42) TRPM8ALDH1A1LMNAKDM4ECDC7
SCHEMBL952025 0.84 TRPM8 (0.38) TRPM8RAB9ANPC1HPGDALDH1A1
SCHEMBL953230 0.83 LMNA (0.39) RAB9ANPC1L3MBTL1ALDH1A1MEN1

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 2427/4885RAB9A 1059/4885NPC1 458/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TRPM8 4834/4885RAB9A 668/4885NPC1 1316/4885

“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.