Sugi Predict

Sugi Predict / Compounds / SCHEMBL7305552

SCHEMBL7305552

SCHEMBL7305552

CC(C)[C@H](NC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 1/20 0.64
▸ CTSL P07711 4/20 0.60
▸ CTSK P43235 4/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSB P07858 3/20 0.60
▸ CA2 P00918 1/20 0.57
▸ CA5A P35218 1/20 0.57
▸ ATM Q13315 1/20 0.56
▸ ELANE P08246 2/20 0.55
▸ PRTN3 P24158 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CASP3 P42574 2/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ CASP8 Q14790 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CAPN1 P07384 1/20 0.53

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
SCHEMBL13973861 1.00 ECE1 (0.64) ECE1CTSLCTSKCTSSCTSB
SCHEMBL7331078 1.00 ECE1 (0.64) ECE1CTSLCTSKCTSSCTSB
SCHEMBL15849236 0.95 ECE1 (0.65) ECE1CTSLCTSKCTSSCTSB
SCHEMBL9383939 0.90 CTSL (0.67) ECE1CTSLCTSKCTSSCTSB
SCHEMBL10848448 0.90 CTSL (0.67) ECE1CTSLCTSKCTSSCTSB
SCHEMBL10572092 0.90 CTSL (0.67) ECE1CTSLCTSKCTSSCTSB
SCHEMBL9713340 0.90 CTSL (0.67) ECE1CTSLCTSKCTSSCTSB
SCHEMBL16828812 0.89 CTSL (0.58) ECE1CTSLCTSKCTSSCTSB
Water SCHEMBL10848660 0.89 CTSS (0.69) ECE1CTSLCTSKCTSSCTSB
SCHEMBL21048448 0.89 CTSL (0.58) ECE1CTSLCTSKCTSSCTSB

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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036195-C Condensed heterocyclic derivative and agricultural or horticultural fungicide containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-22 — — CN claimed
CN-1086810-A Condensed heterocyclic derivative and agricultural or horticultural fungicide containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-05-18 — — CN claimed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 — — US disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 — — US disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
WO-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 — — WO disclosed
CN-116731118-A Peptides and uses thereof 主流源生物科技(上海)有限公司 2023-09-12 — — CN disclosed
US-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2023-07-13 — — US disclosed
US-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2023-07-13 — — US disclosed
US-5559256-A Aminediol protease inhibitors E. R. SQUIBB & SONS, INC. (US) 1996-09-24 — — US disclosed
EP-0628035-A4 RETROVIRAL PROTEASE INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-03-29 — — EP disclosed
EP-0628035-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-14 — — EP disclosed
EP-0580402-A2 Aminediol protease inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-01-26 — — EP disclosed
WO-1993017003-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 — — WO disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 — — EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 — — US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 — — EP disclosed
US-4028315-A Solid phase synthesis of peptides E. R. SQUIBB & SONS, INC. (US) 1977-06-07 — — 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-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 ECE1 2619/4885CTSL 4540/4885CTSK 4633/4885
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 ECE1 2796/4885CTSL 3071/4885CTSK 2481/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 ECE1 2796/4885CTSL 3071/4885CTSK 2481/4885

“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.