Sugi Predict

Sugi Predict / Compounds / SCHEMBL13636358

SCHEMBL13636358

SCHEMBL13636358

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.53
▸ CTSS P25774 5/20 0.53
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL17980908 1.00 CTSK (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL14274530 1.00 CTSK (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL12734596 0.89 CTSK (0.61) CTSKCTSS
SCHEMBL12734600 0.89 CTSK (0.61) CTSKCTSS
SCHEMBL15961701 0.89 CTSK (0.61) CTSKCTSS
SCHEMBL24739376 0.87 CTSK (0.56) CTSKCTSSCA1CA2CA7
SCHEMBL28398590 0.87 CTSK (0.56) CTSKCTSSCA1CA2CA7
SCHEMBL24465592 0.87 CTSK (0.56) CTSKCTSSCA1CA2CA7
SCHEMBL4781261 0.86 CTSK (0.55) CTSKCTSSCA1CA2CA7
Hydrochloric Acid SCHEMBL30306646 0.86 CTSK (0.55) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372573-A The synthesis technology of antihyperglycemic drug intermediate R-3- amino-piperadine dihydrochloride 苏州汉德创宏生化科技有限公司 2019-10-25 — — CN claimed
WO-2018045157-A1 PROCESS FOR PREPARING INDOLE CARBOXAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 — — WO disclosed
US-9242925-B2 Versatile and stereospecific synthesis of γ,δ-unsaturated amino acids by Wittig reaction CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-01-26 — — US disclosed
US-20150099806-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2015-04-09 — — US disclosed
US-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-12-11 — — US disclosed
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2012-12-13 — — US disclosed
EP-1242385-B1 CYTOKINE, ESPECIALLY TNF-ALPHA, INHIBITORS PHARMACOPEIA INC (US) 2009-11-25 — — EP 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-20150099806-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN CTSK 309/4885CTSS 268/4885CA1 48/4885
US-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION BCAT1, BCAT2, ALAD CTSK 3625/4885CTSS 3533/4885CA1 2037/4885
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN CTSK 309/4885CTSS 268/4885CA1 48/4885

“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.