SCHEMBL1133286

SCHEMBL1133286

COC(=O)C(Cc1ccc(I)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.57
CTSS P25774 7/20 0.52
CTSK P43235 6/20 0.52
CTSB P07858 2/20 0.51
CTSL P07711 1/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ACE P12821 1/20 0.49
EPHX2 P34913 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ATM Q13315 1/20 0.45
AKT1 P31749 1/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL31571430 1.00 KLK5 (0.57) KLK5CTSSCTSKCTSBCTSL
SCHEMBL1133288 1.00 KLK5 (0.57) KLK5CTSSCTSKCTSBCTSL
SCHEMBL5887534 0.93 CTSS (0.53) KLK5CTSSCTSKCTSBCTSL
SCHEMBL5887530 0.93 CTSS (0.53) KLK5CTSSCTSKCTSBCTSL
SCHEMBL1111226 0.90 CTSS (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL1111230 0.90 CTSS (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL5887200 0.88 CTSS (0.49) KLK5CTSSCTSKCTSBCTSL
SCHEMBL5887203 0.88 CTSS (0.49) KLK5CTSSCTSKCTSBCTSL
SCHEMBL12035376 0.88 KLK5 (0.58) KLK5CTSSCTSKCTSBCTSL
SCHEMBL16232664 0.88 KLK5 (0.58) KLK5CTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109021003-B Preparation method of vinyl silicon/germanium/stannane derivative 华侨大学 2021-06-01 CN claimed
EP-4567035-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2025-06-11 EP disclosed
CN-115710286-B Preparation method of cis-styryl boron derivative 华侨大学 2024-02-27 CN disclosed
CN-115710286-A Preparation method of cis-styrylboron derivative 华侨大学 2023-02-24 CN disclosed
CN-110003271-B Process for producing aromatic compound 住友化学株式会社 2022-05-03 CN disclosed
US-11045796-B2 Process for producing aromatic compound, and palladium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 US disclosed
CN-109021003-B Preparation method of vinyl silicon/germanium/stannane derivative 华侨大学 2021-06-01 CN disclosed
CN-108368142-B Method for producing aromatic compound and palladium complex 住友化学株式会社 2021-02-19 CN disclosed
CN-110437068-B Preparation method of aromatic methylation 武汉大学 2020-11-03 CN disclosed
CN-110437068-A A kind of preparation method of aromatic hydrocarbons methylation UNIV WUHAN 2019-11-12 CN disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 EP disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 US disclosed
EP-1306131-A2 Cross-Coupling catalyst comprising a cyclic nitrogen ligand and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-02 EP disclosed
CN-1092624-C Method for removing heavy metals ZAMBON SPA (IT) 2002-10-16 CN disclosed
CN-1351592-A Acyl derivatives for the treatment of VLA-4 related diseases ELAN PHARM INC (US) 2002-05-29 CN disclosed
EP-1044215-A1 ANTI-INFLAMMATORY PHENYLALANINE DERIVATIVES CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-18 EP disclosed
CN-1255912-A Process for removal of heavy metals ZAMBON SPA (IT) 2000-06-07 CN disclosed
WO-1999035163-A1 PHENYLALANINE DERIVATIVES CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-15 WO disclosed
WO-1999029640-A2 COMPOSITIONS AND METHODS FOR MODULATING THE ACTIVITY OF FIBROBLAST GROWTH FACTOR EISAI CO., LTD. (JP) 1999-06-17 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 (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-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 KLK5 4351/4885CTSS 3882/4885CTSK 4109/4885
US-11045796-B2 Process for producing aromatic compound, and palladium complex DDT, DRD1, DRD2 KLK5 4117/4885CTSS 2828/4885CTSK 2690/4885
US-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH KLK5 4410/4885CTSS 1702/4885CTSK 2430/4885

“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.