SCHEMBL976309

SCHEMBL976309

CCOc1oc(C(=O)O)nc1Cc1c(F)cc(-c2ccccc2-c2nnn[nH]2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.34
DHODH Q02127 2/20 0.33
CD274 Q9NZQ7 2/20 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
AGTR1 P30556 2/20 0.30
ABCB11 O95342 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP2C9 P11712 1/20 0.30
ADRB3 P13945 1/20 0.30
ADRA2B P18089 1/20 0.30
SLC6A2 P23975 1/20 0.30
TBXAS1 P24557 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
SCHEMBL975578 0.90 AGTR1 (0.36) CTSADHODHPDE10AAGTR1AGTR2
SCHEMBL976884 0.86 CTSA (0.34) CTSADHODHCD274KDM4ENPC1
SCHEMBL976876 0.86 AGTR1 (0.38) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL976867 0.85 MME (0.36) CTSAALDH1A1AGTR1MME
SCHEMBL974633 0.85 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL976833 0.83 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL976897 0.80 ALDH1A1 (0.34) CD274NPC1ALDH1A1RAB9AAGTR1
SCHEMBL976879 0.78 AGTR1 (0.36) AGTR1AGTR2LTB4R2MME
SCHEMBL976611 0.75 AGTR1 (0.38) AGTR1AGTR2LTB4R2
SCHEMBL974765 0.75 AGTR1 (0.38) AGTR1AGTR2LTB4R2

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.