SCHEMBL952918

SCHEMBL952918

C=CCOc1nc(-c2c(C)nn3ccccc23)sc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSP90AA1 P07900 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL953608 0.90 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AMAPTALDH1A1MEN1
SCHEMBL956509 0.90 CDC7 (0.35) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL953720 0.86 TRPM8 (0.40) SMN1; SMN2TRPM8NPC1RAB9AMAPT
SCHEMBL952277 0.85 SMN1; SMN2 (0.36) SMN1; SMN2TRPM8NPC1RAB9AMAPT
SCHEMBL952685 0.81 LMNA (0.46) SMN1; SMN2TRPM8NPC1RAB9AMAPT
SCHEMBL952954 0.81 TRPM8 (0.55) TRPM8NPC1RAB9AMAPTALDH1A1
SCHEMBL955925 0.80 TRPM8 (0.41) SMN1; SMN2TRPM8NPC1RAB9AMAPT
SCHEMBL958092 0.79 TRPM8 (0.38) SMN1; SMN2TRPM8NPC1RAB9AMAPT
SCHEMBL952283 0.79 TRPM8 (0.36) TRPM8NPC1RAB9AMAPTTSHR
SCHEMBL954881 0.78 SMN1; SMN2 (0.39) SMN1; SMN2TRPM8NPC1RAB9AMAPT

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 BLM 4774/4885SMN1; SMN2 3758/4885TRPM8 2427/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 BLM 3172/4885SMN1; SMN2 3959/4885TRPM8 4834/4885

“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.