SCHEMBL14976606

SCHEMBL14976606

CCC(=O)C1(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.56
CTSL P07711 4/20 0.56
CTSB P07858 3/20 0.56
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CTSK P43235 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.45
TLR2 O60603 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL19920827 0.87 CTSB (0.49) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL19784031 0.87 CTSS (0.52) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL14751533 0.85 CTSS (0.58) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL143763 0.85 CTSS (0.57) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL2913795 0.84 CTSS (0.55) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL1189554 0.84 CTSS (0.57) CTSSCTSLCTSBNPC1RAB9A
Hydrochloric Acid SCHEMBL29158039 0.83 CTSS (0.56) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL2394738 0.82 CTSS (0.55) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL30828225 0.82 CTSS (0.55) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL14690411 0.82 CTSS (0.53) CTSSCTSLCTSBNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
EP-2782580-A1 SELECTIVE KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2014-10-01 EP disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 WO disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 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 (1 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-20140323418-A1 SELECTIVE KINASE INHIBITORS SYK, BTK, LCK CTSS 1720/4885CTSL 2393/4885CTSB 1619/4885

“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.