SCHEMBL975578

SCHEMBL975578

CCOc1oc(C(=O)O)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.36
MME P08473 2/20 0.36
AGTR2 P50052 2/20 0.35
ECE1 P42892 1/20 0.34
CTSA P10619 2/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
SLC33A1 O00400 6/20 0.33
BDKRB1 P46663 2/20 0.33
PDE10A Q9Y233 1/20 0.33
DHODH Q02127 1/20 0.32

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
SCHEMBL976309 0.90 CTSA (0.34) AGTR1MMEAGTR2CTSALTB4R2
SCHEMBL976879 0.87 AGTR1 (0.36) AGTR1MMEAGTR2ECE1LTB4R2
SCHEMBL976876 0.86 AGTR1 (0.38) AGTR1AGTR2LTB4R2
SCHEMBL976611 0.86 AGTR1 (0.38) AGTR1AGTR2LTB4R2SLC33A1
SCHEMBL974765 0.84 AGTR1 (0.38) AGTR1AGTR2LTB4R2SLC33A1
SCHEMBL976867 0.84 MME (0.36) AGTR1MMECTSA
SCHEMBL976897 0.79 ALDH1A1 (0.34) AGTR1AGTR2LTB4R2
SCHEMBL976884 0.78 CTSA (0.34) CTSAPDE10ADHODH
SCHEMBL975751 0.78 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL974633 0.75 AGTR1 (0.32) AGTR1AGTR2

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
WO-2011011232-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 WO disclosed
US-20110021527-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-27 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 (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 AGTR1 1/4885MME 5/4885AGTR2 2/4885
US-20130196997-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885MME 5/4885AGTR2 2/4885
US-20140194426-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN AGTR1 1/4885MME 5/4885AGTR2 2/4885

“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.