Sugi Predict

Sugi Predict / Compounds / SCHEMBL1592541

SCHEMBL1592541

SCHEMBL1592541

COC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)C(=O)NOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ATM Q13315 2/20 0.49
▸ ECE1 P42892 1/20 0.48
▸ BIRC2 Q13490 2/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MME P08473 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL1258228 1.00 ALDH1A1 (0.51) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10879298 0.87 BIRC2 (0.59) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10879291 0.87 BIRC2 (0.59) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL776293 0.81 OPRK1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10878767 0.80 MME (0.62) ECE1MME
SCHEMBL10879837 0.78 ECE1 (0.52) ECE1BIRC2MMEMMP8
SCHEMBL10879829 0.78 ECE1 (0.52) ECE1BIRC2MMEMMP8
SCHEMBL1258101 0.77 NPC1 (0.57) CYP2C9CYP2C19MMEMMP8
SCHEMBL9402445 0.77 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9301372 0.77 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273008-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-03-01 — — US disclosed
US-9150514-B2 Dual-acting antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-06 — — US disclosed
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-07-09 — — US disclosed
US-9012485-B2 Dual-acting imidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-21 — — US disclosed
US-20150065543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-05 — — US disclosed
US-8895755-B2 Intermediates for preparing dual-acting benzyl triazole antihypertensive agents having angiotensin II type I receptor antagonist activity and neprilysin-inhibition activity THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-11-25 — — US disclosed
US-20140303222-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-10-09 — — US disclosed
US-8664254-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2014-03-04 — — US disclosed
US-20140024835-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-01-23 — — US disclosed
US-8569351-B2 Dual-acting benzyl triazole antihypertensive agents having angiotensin II type receptor antagonist activity and neprilysin-inhibition activity THERAVANCE, INC. (US) 2013-10-29 — — US disclosed
US-20130245087-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-09-19 — — US disclosed
US-20130096162-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-04-18 — — US disclosed
US-8349875-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-01-08 — — US disclosed
US-8344013-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2013-01-01 — — US disclosed
US-20120165381-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-06-28 — — US disclosed
US-8158659-B2 Dual-acting imidazole antihypertensive agents THERAVANCE, INC. (US) 2012-04-17 — — US disclosed
US-20110092551-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-04-21 — — 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 (8 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-20110092551-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALDH1A1 1770/4885THRB 592/4885CYP2C9 512/4885
US-20150191435-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALDH1A1 1770/4885THRB 592/4885CYP2C9 512/4885
US-20130096162-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALDH1A1 3202/4885THRB 705/4885CYP2C9 980/4885
US-20130245087-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALDH1A1 1770/4885THRB 592/4885CYP2C9 512/4885
US-20140303222-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALDH1A1 1770/4885THRB 592/4885CYP2C9 512/4885
US-20150065543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALDH1A1 3202/4885THRB 705/4885CYP2C9 980/4885
US-20120165381-A1 DUAL-ACTING IMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALDH1A1 1770/4885THRB 592/4885CYP2C9 512/4885
US-20140024835-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ALDH1A1 3202/4885THRB 705/4885CYP2C9 980/4885

“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.