SCHEMBL474389

SCHEMBL474389

O=COc1cc(F)c(F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL27448300 0.81
SCHEMBL24445898 0.81 ERN1 (0.34) INPPL1CES2CES1
SCHEMBL27283167 0.81
SCHEMBL1997863 0.80 CES2 (0.39) CES2CES1
SCHEMBL5704438 0.78 ALDH1A1 (0.39)
SCHEMBL1993754 0.77 CTSL (0.39) CES2CES1
SCHEMBL27278410 0.76 INPPL1 (0.34) INPPL1
SCHEMBL4900526 0.72 AKR1B1 (0.34) CES2CES1
SCHEMBL31131009 0.72 AKR1B1 (0.34) CES2CES1
SCHEMBL317161 0.71 CA1 (0.34) CES2CES1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210000934-A1 POLYMER ADJUVANT OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-01-07 US disclosed
US-20170304420-A1 POLYMER ADJUVANT OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-10-26 US disclosed
EP-3215189-A1 POLYMER ADJUVANT Oxford University Innovation Limited (GB) 2017-09-13 EP disclosed
WO-2016055812-A1 POLYMER ADJUVANT ISIS INNOVATION LIMITED (GB) 2016-04-14 WO disclosed
US-8362043-B2 Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
EP-2412707-A2 3-[2-(3-Amino-2-oxo-2H-pyridin-1-yl)-acetylamino]-4-oxo-pentanoic acid derivatives and their use as caspase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-01 EP disclosed
EP-1833794-B1 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMA (US) 2012-02-01 EP disclosed
US-7960415-B2 Caspase inhibitors and uses thereof Vertex Pharmaceutical Incoporated (US) 2011-06-14 US disclosed
US-20100197668-A1 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-a][1,4]-DIAZEPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
US-20100197668-A1 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-a][1,4]-DIAZEPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
US-20090093416-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-04-09 US disclosed
EP-1833794-A1 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2007-09-19 EP disclosed
US-20060160862-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 US disclosed
WO-2006057961-A1 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO disclosed
EP-1631549-A2 3-[2-(3-AMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-03-08 EP disclosed
WO-2004106304-A2 3 - [2- (3-AMINO-2-OXO-2H-PYRIDIN-1-YL) - ACETYLAMINO] - 4- OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-09 WO disclosed
US-20040242494-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-12-02 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 (6 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-20210000934-A1 POLYMER ADJUVANT TLR3, TLR9, TLR1 INPPL1 990/4885CES2 4298/4885CES1 4381/4885
US-20100197668-A1 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-a][1,4]-DIAZEPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CNR2, GRIK5, CNR1 INPPL1 1204/4885CES2 603/4885CES1 863/4885
US-20170304420-A1 POLYMER ADJUVANT TLR3, TLR9, TLR1 INPPL1 990/4885CES2 4298/4885CES1 4381/4885
US-20040242494-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP3 INPPL1 1249/4885CES2 1327/4885CES1 253/4885
US-20090093416-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 INPPL1 2242/4885CES2 1040/4885CES1 341/4885
US-20060160862-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP3 INPPL1 2334/4885CES2 1028/4885CES1 337/4885

“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.