SCHEMBL975346

SCHEMBL975346

CCOc1nc(C(=O)O)oc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2B P18089 1/20 0.37
SLC6A2 P23975 1/20 0.37
TBXAS1 P24557 1/20 0.37
HTR2C P28335 1/20 0.37
AGTR1 P30556 1/20 0.37
PPARG P37231 1/20 0.37
HTR2B P41595 1/20 0.37
AGTR2 P50052 1/20 0.37
PDE3A Q14432 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL975052 0.88 ALDH1A1 (0.34) ALDH1A1MAPTHPGD
SCHEMBL975000 0.87 MME (0.35) AGTR1ALDH1A1MAPTHPGD
SCHEMBL976879 0.86 AGTR1 (0.36) AGTR1AGTR2LTB4R2
SCHEMBL976884 0.86 CTSA (0.34) ALDH1A1
SCHEMBL976876 0.85 AGTR1 (0.38) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL974996 0.84 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL974992 0.82 AGTR1 (0.39) AGTR1
SCHEMBL974990 0.75 AGTR2 (0.40) AGTR1AGTR2
SCHEMBL1775436 0.75 AGTR1 (0.38) ABCB11EGFRERBB2CYP3A4ADORA3
SCHEMBL844426 0.74 AGTR1 (0.38) ABCB11EGFRERBB2CYP3A4ADORA3

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 ABCB11 1875/4885EGFR 491/4885ERBB2 609/4885
US-20130196997-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ABCB11 1875/4885EGFR 491/4885ERBB2 609/4885
US-20140194426-A1 DUAL-ACTING OXAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ABCB11 1875/4885EGFR 491/4885ERBB2 609/4885

“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.