Sugi Predict

Sugi Predict / Compounds / SCHEMBL1200288

SCHEMBL1200288

SCHEMBL1200288

COC(=O)[C@H](CI)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KYNU Q16719 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ CTSK P43235 6/20 0.56
▸ CTSS P25774 4/20 0.55
▸ CTSL P07711 3/20 0.55
▸ CTSB P07858 3/20 0.55
▸ TRPM8 Q7Z2W7 1/20 0.54
▸ TACR1 P25103 2/20 0.53
▸ CTRB1 P17538 2/20 0.52
▸ ATM Q13315 1/20 0.52

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
SCHEMBL2980857 1.00 KYNU (0.63) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL29107775 0.91 CTSK (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL28171277 0.91 CTSK (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL15055671 0.89 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL15055673 0.89 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL17715377 0.88 ALDH1A1 (0.61) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL18248139 0.88 PPARA (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL17685903 0.88 PPARA (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL1111004 0.87 SIRT2 (0.60) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL1111001 0.87 SIRT2 (0.60) KYNUALDH1A1ALOX15CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773228-A Synthesis method of N-benzyloxycarbonyl-3-iodo-L-alanine methyl ester 上海吉奉生物科技有限公司 2021-12-10 — — CN claimed
EP-4658667-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY Merck Sharp & Dohme LLC (US) 2025-12-10 — — EP disclosed
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC 2024-08-29 — — US disclosed
WO-2024163691-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC (US) 2024-08-08 — — WO disclosed
CN-116606236-A Synthesis method of 6-benzyloxy tryptophan 上海吉奉生物科技有限公司 2023-08-18 — — CN disclosed
CN-115784934-A Synthetic method of tyrosine derivative 上海吉奉生物科技有限公司 2023-03-14 — — CN disclosed
CN-113773228-A Synthesis method of N-benzyloxycarbonyl-3-iodo-L-alanine methyl ester 上海吉奉生物科技有限公司 2021-12-10 — — CN disclosed
CN-113773228-A Synthesis method of N-benzyloxycarbonyl-3-iodo-L-alanine methyl ester 上海吉奉生物科技有限公司 2021-12-10 — — CN disclosed
CN-113773228-A Synthesis method of N-benzyloxycarbonyl-3-iodo-L-alanine methyl ester 上海吉奉生物科技有限公司 2021-12-10 — — CN disclosed
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 — — US disclosed
EP-1482924-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-08 — — EP disclosed
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 — — US disclosed
WO-2005021487-A1 CATHEPSIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-03-10 — — WO disclosed
EP-1482924-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2004-12-08 — — EP disclosed
US-20030232863-A1 Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders BAYLY CHRISTOPHER I (CA) 2003-12-18 — — US disclosed
WO-2003075836-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-18 — — WO disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 — — US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 — — US disclosed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 — — EP disclosed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 — — 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 (4 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP KYNU 141/4885ALDH1A1 1694/4885ALOX15 446/4885
US-20030232863-A1 Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders CTSE, CTSB, CTSS KYNU 236/4885ALDH1A1 3635/4885ALOX15 1592/4885
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY TNF, TNFRSF1A, CD40 KYNU 2531/4885ALDH1A1 3774/4885ALOX15 2656/4885
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB KYNU 260/4885ALDH1A1 3683/4885ALOX15 1761/4885

“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.