SCHEMBL78933

SCHEMBL78933

CC[C@@H](C(=O)O)n1cnc2ccc(Sc3cccc(F)c3)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.41
GCK P35557 1/20 0.39
SLC6A9 P48067 5/20 0.38
TSHR P16473 1/20 0.37
BRAF P15056 1/20 0.37
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DDR1 Q08345 1/20 0.34
EIF4EBP1 Q13541 1/20 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
SCHEMBL79412 0.91 USP5 (0.48) USP5GCKTSHRBRAFALDH1A1
SCHEMBL6385632 0.91 USP5 (0.48) USP5GCKTSHRBRAFALDH1A1
SCHEMBL79125 0.84 CASP3 (0.41) GCK
SCHEMBL92915 0.84 CASP3 (0.41) GCK
SCHEMBL13632273 0.83 CASP3 (0.35) GCKBRAF
SCHEMBL78888 0.82 PPARG (0.43) USP5GCKTSHRBRAFDHODH
SCHEMBL78192 0.80 USP5 (0.43) USP5GCKTSHRBRAFALDH1A1
SCHEMBL78193 0.80 USP5 (0.43) USP5GCKTSHRBRAFALDH1A1
SCHEMBL77994 0.78 GCK (0.48) USP5GCKTSHR
SCHEMBL87330 0.78 GCK (0.48) USP5GCKTSHR

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-8129381-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 US disclosed
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 US disclosed
US-20040072850-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-04-15 US 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-20040072850-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP2 USP5 759/4885GCK 2665/4885SLC6A9 4842/4885
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 USP5 590/4885GCK 2704/4885SLC6A9 4840/4885

“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.