SCHEMBL79412

SCHEMBL79412

CC[C@@H](C(=O)O)n1cnc2ccc(Sc3ccccc3)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.48
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE4B Q07343 1/20 0.37
IP6K1 Q92551 1/20 0.36
TP53 P04637 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
BRAF P15056 1/20 0.36
GCK P35557 1/20 0.35
GRK2 P25098 1/20 0.35
LRRK2 Q5S007 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
SCHEMBL6385632 1.00 USP5 (0.48) USP5TSHRALDH1A1MAPTLMNA
SCHEMBL78933 0.91 USP5 (0.41) USP5TSHRALDH1A1BRAFGCK
SCHEMBL78193 0.84 USP5 (0.43) USP5TSHRALDH1A1LMNAMAPK1
SCHEMBL78192 0.84 USP5 (0.43) USP5TSHRALDH1A1LMNAMAPK1
SCHEMBL311956 0.83 USP5 (0.68) USP5TSHRALDH1A1MAPTLMNA
SCHEMBL80194 0.83 USP5 (0.68) USP5TSHRALDH1A1MAPTLMNA
SCHEMBL79719 0.82 CASP1 (0.41)
SCHEMBL92919 0.82 CASP1 (0.41)
SCHEMBL13632271 0.80 CASP1 (0.37) USP5
SCHEMBL77994 0.80 GCK (0.48) USP5TSHRLMNAKDM4EMAPK1

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 759/4885TSHR 4796/4885ALDH1A1 862/4885
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 USP5 590/4885TSHR 4813/4885ALDH1A1 1366/4885

“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.