SCHEMBL311763

SCHEMBL311763

C[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)N1Cc2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.52
SDCBP O00560 6/20 0.50
SDC2 P34741 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASP3 P42574 4/20 0.48
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
CASP1 P29466 1/20 0.46

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
SCHEMBL25331253 0.83 ITGB3 (0.46) THRBCASP3CASP7CASP9CASP6
SCHEMBL30477287 0.83 ITGB3 (0.46) THRBCASP3CASP7CASP9CASP6
SCHEMBL312310 0.82 POLB (0.55) KMT2ACASP3CASP7CASP9CASP6
SCHEMBL25331664 0.81 MAPK1 (0.39) SDCBPSDC2CASP3CASP7CASP9
SCHEMBL30477289 0.81 MAPK1 (0.39) SDCBPSDC2CASP3CASP7CASP9
SCHEMBL30477298 0.80 MAPK1 (0.39) SDCBPSDC2MEN1KMT2A
SCHEMBL25330511 0.80 SDCBP (0.38) SDCBPSDC2CASP3
SCHEMBL30477316 0.80 SDCBP (0.38) SDCBPSDC2CASP3
SCHEMBL311793 0.78 THRB (0.52) THRBMEN1KMT2ACASP3CASP9
SCHEMBL25331706 0.77 SDCBP (0.50) SDCBPSDC2CASP3CASP7CASP9

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288537-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-8288537-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-8288537-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-29 US disclosed
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-29 US disclosed
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-29 US disclosed
US-8093392-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-10 US disclosed
US-8093392-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-10 US disclosed
US-8093392-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-10 US disclosed
US-20110130436-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-02 US disclosed
US-7906650-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 US disclosed
US-7906650-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 US disclosed
US-7906650-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 US disclosed
US-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-7517987-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-14 US disclosed
US-7517987-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-14 US disclosed
US-7517987-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-14 US disclosed
US-20030232846-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 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 (4 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-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 THRB 4677/4885SDCBP 4332/4885SDC2 4021/4885
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 THRB 4677/4885SDCBP 4332/4885SDC2 4021/4885
US-20110130436-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 THRB 4677/4885SDCBP 4332/4885SDC2 4021/4885
US-20030232846-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP2 THRB 4705/4885SDCBP 4008/4885SDC2 3928/4885

“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.