SCHEMBL953720

SCHEMBL953720

COC(=O)c1sc(-c2c(C)nn3ccccc23)nc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
RAB9A P51151 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
VCP P55072 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.36
SCD O00767 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CSNK1D P48730 1/20 0.35

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
SCHEMBL951849 0.91 SMN1; SMN2 (0.40) RAB9ATSHRSMN1; SMN2VCPALDH1A1
SCHEMBL954065 0.89 PLK1 (0.41) RAB9ATSHRSMN1; SMN2VCPALDH1A1
SCHEMBL952918 0.86 BLM (0.36) TRPM8RAB9ATSHRSMN1; SMN2VCP
SCHEMBL952685 0.82 LMNA (0.46) TRPM8RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL956857 0.81 TRPM8 (0.49) TRPM8RAB9ATSHRSMN1; SMN2MAPT
SCHEMBL952954 0.81 TRPM8 (0.55) TRPM8RAB9AALDH1A1MAPTNPC1
SCHEMBL952283 0.81 TRPM8 (0.36) TRPM8RAB9ATSHRVCPALDH1A1
SCHEMBL955925 0.81 TRPM8 (0.41) TRPM8RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL954881 0.81 SMN1; SMN2 (0.39) TRPM8RAB9ATSHRSMN1; SMN2VCP
SCHEMBL953882 0.80 SCD (0.39) TRPM8SCDMEN1KMT2A

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 1059/4885TSHR 1608/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TRPM8 4834/4885RAB9A 668/4885TSHR 2433/4885

“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.