SCHEMBL1583887

SCHEMBL1583887

COC(=O)C(CC=O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.49
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CTSS P25774 6/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40

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
SCHEMBL14290829 1.00 CTSK (0.49) CTSKNFKB1NFKB2RELACYP1A2
SCHEMBL10164321 1.00 CTSK (0.49) CTSKNFKB1NFKB2RELACYP1A2
SCHEMBL1261146 0.92 CTSK (0.50) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL13829039 0.92 CTSK (0.50) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL12648034 0.92 CTSK (0.50) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL16330414 0.88 CTSK (0.54) CTSKNFKB1NFKB2RELACYP1A2
SCHEMBL17884307 0.88 CTSK (0.54) CTSKNFKB1NFKB2RELACYP1A2
SCHEMBL23135898 0.87 CYP1A2 (0.58) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL614515 0.85 SMN1; SMN2 (0.48) CTSKNFKB1NFKB2RELACYP1A2
SCHEMBL1433271 0.85 SMN1; SMN2 (0.48) CTSKNFKB1NFKB2RELACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117615760-A Extended dosage regimen for integrin inhibitors 普利安特治疗公司 2024-02-27 — — CN disclosed
CN-115989235-A Methods of treating respiratory diseases using amino acid compounds 普利安特治疗公司 2023-04-18 — — CN disclosed
CN-114173803-A Dosage forms and regimens for amino acid compounds 普利安特治疗公司 2022-03-11 — — CN disclosed
CN-112135612-A Amino acid compounds and methods of use 普利安特治疗公司 2020-12-25 — — CN disclosed
EP-3689353-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-05 — — EP disclosed
EP-3099300-B1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 — — EP disclosed
EP-3150586-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2017-04-05 — — EP disclosed
EP-3099300-A1 ARYL LACTAM KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 — — EP disclosed
US-20160333006-A1 ARYL LACTA KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-17 — — US disclosed
EP-2880032-B1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-05 — — EP disclosed
WO-2015116060-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — WO disclosed
EP-2880032-A1 ARYL LACTAM KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2015-06-10 — — EP disclosed
US-8901305-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 — — US disclosed
US-20140038999-A1 Aryl Lactam Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2014-02-06 — — US disclosed
WO-2014022167-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 — — WO disclosed
WO-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 — — 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 (2 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-20140038999-A1 Aryl Lactam Kinase Inhibitors AAK1, ADCK1, ANKK1 CTSK 1026/4885NFKB1 972/4885NFKB2 817/4885
US-20160333006-A1 ARYL LACTA KINASE INHIBITORS AAK1, NCK1, ANKK1 CTSK 839/4885NFKB1 1258/4885NFKB2 994/4885

“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.

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