SCHEMBL14288950

SCHEMBL14288950

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.46
▸ CTSS P25774 7/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ CAPN1 P07384 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ACE P12821 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL15033871 1.00 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL6121310 0.88 PPARA (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2433802 0.88 PPARA (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL30759429 0.88 CYP1A2 (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL29727304 0.88 CYP1A2 (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12436316 0.88 PPARA (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL13390814 0.88 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL22382062 0.88 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL14125028 0.88 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL475730 0.87 CYP1A2 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 — — WO disclosed
WO-2020206424-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-10-08 — — WO disclosed
US-20170369502-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-12-28 — — US disclosed
US-20150299213-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-10-22 — — US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 — — US disclosed
US-7179446-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-20 — — 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 (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-20170369502-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20150299213-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885

“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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