SCHEMBL976867

SCHEMBL976867

CCOc1oc(C(=O)O)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.36
AGTR1 P30556 3/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PARP1 P09874 5/20 0.32
PARP2 Q9UGN5 2/20 0.32
CTSA P10619 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TPI1 P60174 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 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
SCHEMBL976876 0.87 AGTR1 (0.38) AGTR1
SCHEMBL975000 0.86 MME (0.35) MMEAGTR1ALDH1A1MAPTHPGD
SCHEMBL978177 0.85 PARP1 (0.32) MMEAGTR1PARP1S1PR1S1PR3
SCHEMBL976309 0.85 CTSA (0.34) MMEAGTR1ALDH1A1CTSA
SCHEMBL976897 0.84 ALDH1A1 (0.34) AGTR1ALDH1A1MAPTHPGD
SCHEMBL975578 0.84 AGTR1 (0.36) MMEAGTR1CTSA
SCHEMBL976860 0.84 AGTR1 (0.31) MMEAGTR1PARP1S1PR1S1PR3
SCHEMBL977012 0.77 MME (0.36) MMEAGTR1MAPT
SCHEMBL976884 0.73 CTSA (0.34) ALDH1A1CTSA
SCHEMBL975346 0.73 ABCB11 (0.37) AGTR1ALDH1A1MAPTHPGD

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 MME 5/4885AGTR1 1/4885ALDH1A1 2176/4885
US-20130196997-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 5/4885AGTR1 1/4885ALDH1A1 2176/4885
US-20140194426-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MME 5/4885AGTR1 1/4885ALDH1A1 2176/4885

“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.