SCHEMBL79350

SCHEMBL79350

CCC(C(=O)O)n1cnc2ccc(Oc3cccc(Cl)c3)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
PPARG P37231 2/20 0.43
USP5 P45974 1/20 0.41
HIF1A Q16665 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.39
EIF4EBP1 Q13541 1/20 0.39
GCK P35557 1/20 0.39
PDE4B Q07343 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL78888 0.88 PPARG (0.43) PPARGUSP5HIF1AGCKMEN1
SCHEMBL78872 0.86 FFAR1 (0.43) HPGDHTTUSP5HIF1AGAA
SCHEMBL79402 0.85 USP5 (0.43) HPGDHTTUSP5HIF1AGAA
SCHEMBL77994 0.85 GCK (0.48) HPGDHTTUSP5GAALMNA
SCHEMBL87330 0.85 GCK (0.48) HPGDHTTUSP5GAALMNA
SCHEMBL77973 0.83 CASP1 (0.42) HPGDHTTPPARGHIF1A
SCHEMBL87380 0.83 CASP1 (0.42) HPGDHTTPPARGHIF1A
SCHEMBL27607559 0.83 CASP1 (0.42) HPGDHTTPPARGHIF1A
SCHEMBL13632268 0.82 HPGD (0.38) HPGDHTTPPARGHIF1AGAA
SCHEMBL80194 0.76 USP5 (0.68) HPGDUSP5LMNAMAPTGCK

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-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
EP-1539701-A1 CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-06-15 EP disclosed
US-20040072850-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-04-15 US disclosed
WO-2004002961-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-08 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-20040072850-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP2 HPGD 917/4885HTT 1813/4885PPARG 2862/4885
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 HPGD 764/4885HTT 1887/4885PPARG 2591/4885

“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.