SCHEMBL79402

SCHEMBL79402

CCC(C(=O)O)n1cnc2ccc(Oc3ccccc3Cl)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.43
ABL1 P00519 2/20 0.41
HIF1A Q16665 1/20 0.41
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
TSHR P16473 1/20 0.39
BRAF P15056 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MCL1 Q07820 1/20 0.37
MCHR1 Q99705 1/20 0.37
SCD O00767 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
XIAP P98170 1/20 0.36

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
SCHEMBL78872 0.89 FFAR1 (0.43) USP5HIF1ATSHRGAALMNA
SCHEMBL12625999 0.87 BRAF (0.37) USP5ABL1HIF1ALPAR1LPAR5
SCHEMBL79350 0.85 HPGD (0.44) USP5HIF1AGAALMNAMAPK1
SCHEMBL87237 0.84 CASP1 (0.40) HIF1A
SCHEMBL28752849 0.84 CASP1 (0.40) HIF1A
SCHEMBL80201 0.84 CASP1 (0.40) HIF1A
SCHEMBL13632267 0.82 CASP1 (0.35) ABL1HIF1ALPAR1LPAR5BRAF
SCHEMBL78888 0.81 PPARG (0.43) USP5HIF1ATSHRBRAFMCHR1
SCHEMBL87330 0.79 GCK (0.48) USP5TSHRGAALMNAMAPK1
SCHEMBL77994 0.79 GCK (0.48) USP5TSHRGAALMNAMAPK1

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 759/4885ABL1 1435/4885HIF1A 766/4885
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 USP5 590/4885ABL1 1619/4885HIF1A 1058/4885

“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.