SCHEMBL976884

SCHEMBL976884

CCOc1nc(C(=O)O)oc1Cc1c(F)cc(-c2ccccc2-c2nnn[nH]2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.34
DHODH Q02127 2/20 0.33
CD274 Q9NZQ7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
PDE10A Q9Y233 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL976879 0.90 AGTR1 (0.36)
SCHEMBL976309 0.86 CTSA (0.34) CTSADHODHCD274KDM4ENPC1
SCHEMBL975346 0.86 ABCB11 (0.37) ALDH1A1
SCHEMBL975000 0.85 MME (0.35) CTSAALDH1A1
SCHEMBL976833 0.85 AGTR1 (0.32)
SCHEMBL974633 0.83 AGTR1 (0.32)
SCHEMBL975052 0.80 ALDH1A1 (0.34) CD274ALDH1A1
SCHEMBL975578 0.78 AGTR1 (0.36) CTSADHODHPDE10A
SCHEMBL975535 0.77 MAPT (0.38)
SCHEMBL976611 0.75 AGTR1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181206-B2 Dual-acting oxazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-11-10 US disclosed
US-20140194426-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-07-10 US disclosed
US-8598170-B2 Dual-acting oxazole antihypertensive agents THERAVANCE, INC. (US) 2013-12-03 US disclosed
EP-2456762-B1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE INC (US) 2013-10-16 EP disclosed
US-20130196997-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-08-01 US disclosed
US-8372984-B2 Dual-acting oxazole antihypertensive agents THERAVANCE, INC. (US) 2013-02-12 US disclosed
EP-2456762-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2012-05-30 EP disclosed
US-20110021527-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-27 US disclosed
WO-2011011232-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 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 (3 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-20110021527-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN CTSA 1453/4885DHODH 1879/4885CD274 3275/4885
US-20130196997-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN CTSA 1453/4885DHODH 1879/4885CD274 3275/4885
US-20140194426-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN CTSA 1453/4885DHODH 1879/4885CD274 3275/4885

“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.