SCHEMBL4895414

SCHEMBL4895414

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.59
CTSK P43235 6/20 0.59
MME P08473 5/20 0.56
ATM Q13315 1/20 0.55
MMEL1 Q495T6 2/20 0.47
APP P05067 4/20 0.46
ACE P12821 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 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
SCHEMBL4899560 1.00 CTSS (0.59) CTSSCTSKMMEATMMMEL1
SCHEMBL17050 1.00 CTSS (0.59) CTSSCTSKMMEATMMMEL1
SCHEMBL28132845 0.88 ATM (0.60) CTSSCTSKMMEATMAPP
SCHEMBL1519889 0.88 ATM (0.56) CTSSCTSKMMEATMAPP
SCHEMBL29163523 0.88 ATM (0.56) CTSSCTSKMMEATMAPP
SCHEMBL7897952 0.88 ATM (0.56) CTSSCTSKATMAPPACE
SCHEMBL489489 0.88 ATM (0.70) CTSSCTSKATMAPPACE
SCHEMBL1519945 0.88 ATM (0.70) CTSSCTSKATMAPPACE
SCHEMBL489490 0.88 ATM (0.70) CTSSCTSKATMAPPACE
SCHEMBL31494614 0.87 CTSS (0.54) CTSSCTSKMMEATMAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
CN-116217440-B Preparation method of sitagliptin key intermediate 浙江永太手心医药科技有限公司 2024-07-02 CN disclosed
CN-116217440-A Preparation method of sitagliptin key intermediate 浙江永太手心医药科技有限公司 2023-06-06 CN disclosed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
CN-104662015-B Complement pathway modulators and uses thereof 诺华股份有限公司 2017-03-29 CN disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
CN-101001841-A Tetrahydroquinolones and aza-analogues thereof useful as DPP-IV inhibitors for the treatment of diabetes ASTRAZENECA AB (SE) 2007-07-18 CN disclosed
EP-1758863-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES AstraZeneca AB (SE) 2007-03-07 EP disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 CTSS 1356/4885CTSK 3981/4885MME 1357/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 CTSS 2636/4885CTSK 3323/4885MME 1689/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 CTSS 1356/4885CTSK 3981/4885MME 1357/4885

“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.