SCHEMBL45447

SCHEMBL45447

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.59
SYK P43405 1/20 0.58
CTSK P43235 2/20 0.55
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54

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
SCHEMBL16689484 1.00 CASP1 (0.59) CASP1SYKCTSKCTSLCTSB
SCHEMBL2619551 1.00 CASP1 (0.59) CASP1SYKCTSKCTSLCTSB
SCHEMBL30947821 0.92 CASP1 (0.62) CASP1SYKCTSLCTSBCTSS
SCHEMBL13324038 0.92 CTSL (0.58) CTSKCTSLCTSBCTSS
SCHEMBL14385711 0.90 SYK (0.56) CASP1SYKCTSKCTSLCTSB
SCHEMBL6078490 0.90 SYK (0.56) CASP1SYKCTSKCTSLCTSB
SCHEMBL6078485 0.90 SYK (0.56) CASP1SYKCTSKCTSLCTSB
SCHEMBL5033775 0.90 PPARA (0.58) CASP1SYKCTSKCTSLCTSB
SCHEMBL1093029 0.90 PPARA (0.58) CASP1SYKCTSKCTSLCTSB
SCHEMBL3004720 0.90 PPARA (0.58) CASP1SYKCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304131-A Alpha-carbonyl alkenyl ester compound, and preparation method and application thereof 广州医科大学 2023-12-29 CN claimed
US-12583887-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2026-03-24 US disclosed
US-12559521-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2026-02-24 US disclosed
US-20240425547-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2024-12-26 US disclosed
US-20240409580-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2024-12-12 US disclosed
US-12139554-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2024-11-12 US disclosed
US-12122851-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2024-10-22 US disclosed
CN-118702713-A N- (3-benzene)10Boric acid) -L-aspartic acid intermediate and preparation method thereof 安徽普利药业有限公司 2024-09-27 CN disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
WO-2024097744-A2 DNA-COMPATIBLE WITTIG OLEFINATION OF ON-DNA PEPTIDYL-YLIDES FOR DEVELOPMENT OF ON-DNA PEPTIDOMIMETICS THROUGH DIVERSITY-ORIENTED SYNTHESIS (DOS) THE ROCKEFELLER UNIVERSITY (US) 2024-05-10 WO disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 US disclosed
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 EP disclosed
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-04-11 US disclosed
US-6018020-A VIRICIDES WHICH ARE PROTEASE INHIBITORS AGAINST HEPATITIS C AND HEPATITIS G HOFFMAN-LA ROCHE INC. (US) 2000-01-25 US disclosed
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5294713-A Inhibiting cell adhesion TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-15 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 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 (9 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-20240425547-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 CASP1 4534/4885SYK 4321/4885CTSK 889/4885
US-20240409580-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 CASP1 4534/4885SYK 4321/4885CTSK 889/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B CASP1 1957/4885SYK 4471/4885CTSK 2623/4885
US-12559521-B2 PSMA imaging agents KLK3, PSMA1, PSMA6 CASP1 3525/4885SYK 4434/4885CTSK 824/4885
US-12139554-B2 PSMA imaging agents FOLH1, KLK3, PSMA2 CASP1 4534/4885SYK 4321/4885CTSK 889/4885
US-12583887-B2 PSMA imaging agents KLK3, PSMA3, PSMA1 CASP1 4037/4885SYK 4295/4885CTSK 965/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 CASP1 6/4885SYK 3174/4885CTSK 762/4885
US-12122851-B2 PSMA imaging agents FOLH1, KLK3, PSMA2 CASP1 4534/4885SYK 4321/4885CTSK 889/4885
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL CASP1 2322/4885SYK 787/4885CTSK 3611/4885

“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.