SCHEMBL2953753

SCHEMBL2953753

C[C@H](Cc1ccccc1C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
CTSK P43235 10/20 0.46
CTSS P25774 9/20 0.46
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
PTPN1 P18031 2/20 0.44
PTPRA P18433 1/20 0.44
KCNA5 P22460 1/20 0.44
ACE P12821 1/20 0.44
FOLH1 Q04609 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL18301503 0.87 CTSK (0.47) ATMCTSKCTSSKCNA5FOLH1
SCHEMBL19309171 0.86 ATM (0.44) ATMCTSKCTSSCTSLCTSB
SCHEMBL5586793 0.84 CTSK (0.49) ATMCTSKCTSSCTSLCTSB
SCHEMBL20845474 0.82 ATM (0.49) ATMCTSKCTSSCTSLCTSB
SCHEMBL16970726 0.82 ATM (0.49) ATMCTSKCTSSCTSLCTSB
SCHEMBL14665422 0.82 KCNA5 (0.45) ATMCTSKCTSSCTSLCTSB
SCHEMBL3676162 0.81 NPC1 (0.63) ATMCTSKCTSSCTSLCTSB
SCHEMBL12203694 0.81 NPC1 (0.63) ATMCTSKCTSSCTSLCTSB
SCHEMBL3676166 0.81 NPC1 (0.63) ATMCTSKCTSSCTSLCTSB
SCHEMBL29401299 0.81 NPC1 (0.63) ATMCTSKCTSSCTSLCTSB

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
CN-111647036-B Ocotillol esterified derivatives, preparation method thereof and application thereof in preparing anti-inflammatory drugs 烟台大学 2022-05-13 CN disclosed
CN-111647036-A Ocotillol esterified derivatives, preparation method thereof and application thereof in preparing anti-inflammatory drugs 烟台大学 2020-09-11 CN disclosed
CN-101516378-B Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORP 2011-06-15 CN disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
CN-101516378-A Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORP (US) 2009-08-26 CN disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 ATM 4764/4885CTSK 248/4885CTSS 88/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 ATM 4764/4885CTSK 248/4885CTSS 88/4885
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension UTS2R, PLAUR, FABP3 ATM 4795/4885CTSK 981/4885CTSS 636/4885

“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.