SCHEMBL3553426

SCHEMBL3553426

CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.74
CTSK P43235 6/20 0.74
CTSB P07858 4/20 0.74
ACE P12821 2/20 0.64
CTSL P07711 2/20 0.55
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53
PTPN1 P18031 2/20 0.53
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51
ITGB5 P18084 1/20 0.51
APP P05067 1/20 0.49
MAPK1 P28482 1/20 0.48
KLK5 Q9Y337 1/20 0.48

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
SCHEMBL29758057 1.00 CTSS (0.74) CTSSCTSKCTSBACECTSL
SCHEMBL2333358 1.00 CTSS (0.74) CTSSCTSKCTSBACECTSL
SCHEMBL30655726 1.00 CTSS (0.74) CTSSCTSKCTSBACECTSL
SCHEMBL1073538 1.00 CTSS (0.74) CTSSCTSKCTSBACECTSL
SCHEMBL30829402 1.00 CTSS (0.74) CTSSCTSKCTSBACECTSL
SCHEMBL20905314 0.90 CTSS (0.71) CTSSCTSKCTSBACECTSL
SCHEMBL27350854 0.90 CTSS (0.71) CTSSCTSKCTSBACECTSL
SCHEMBL30578593 0.89 CTSS (0.69) CTSSCTSKCTSBACECTSL
SCHEMBL29657242 0.89 CTSS (0.69) CTSSCTSKCTSBACECTSL
SCHEMBL2346583 0.89 CTSS (0.69) CTSSCTSKCTSBACECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034111-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2026-02-05 US disclosed
CN-118702627-A CD73 small molecule inhibitor, pharmaceutical composition and application thereof 深圳市新樾生物科技有限公司 2024-09-27 CN disclosed
EP-3914256-B1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES INC (US) 2024-05-29 EP disclosed
US-20240057599-A1 METHODS FOR IMPROVING FRUIT QUALITY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2024-02-22 US disclosed
US-20240049709-A1 METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION, (A.R.O), THE VOLCANI INSTITUTE (IL) 2024-02-15 US disclosed
WO-2024026290-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2024-02-01 WO disclosed
WO-2024026290-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2024-02-01 WO disclosed
CN-110869352-B Chemical compound 诺瑟拉有限公司 2023-11-28 CN disclosed
US-11812746-B2 Method of controlling fungal infections in plants THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2023-11-14 US disclosed
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
EP-1490371-A4 THIOPENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2006-03-22 EP disclosed
US-6933294-B2 Thiophene-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-23 US disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
EP-1490371-A1 THIOPENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2004-12-29 EP disclosed
US-20040058930-A1 Thiophene-based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2004-03-25 US disclosed
WO-2003084959-A1 THIOPENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-16 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 (5 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-20040058930-A1 Thiophene-based tricyclic compounds and pharmaceutical compositions comprising same ABCG2, PFAS, CYP2F1 CTSS 461/4885CTSK 535/4885CTSB 890/4885
US-20260034111-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS PLA2G2F, PLA2R1, PLA2G12A CTSS 485/4885CTSK 594/4885CTSB 420/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 CTSS 2311/4885CTSK 1687/4885CTSB 2510/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B CTSS 338/4885CTSK 712/4885CTSB 303/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO CTSS 1245/4885CTSK 1722/4885CTSB 1082/4885

“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.