SCHEMBL3316394

SCHEMBL3316394

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.60
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ACE P12821 1/20 0.49
LNPEP Q9UIQ6 1/20 0.47
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
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

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
SCHEMBL3498608 1.00 KLK5 (0.60) KLK5CTSSCTSKCTSLCTSB
SCHEMBL19212612 1.00 KLK5 (0.60) KLK5CTSSCTSKCTSLCTSB
Acetic Acid SCHEMBL2728774 0.96 KLK5 (0.59) KLK5CTSSCTSKCTSLCTSB
SCHEMBL15910014 0.95 KLK5 (0.55) KLK5CTSSCTSKCTSLCTSB
SCHEMBL8212237 0.94 KLK5 (0.54) KLK5CTSSCTSKCTSLCTSB
SCHEMBL4087401 0.94 KLK5 (0.54) KLK5CTSSCTSKCTSLCTSB
SCHEMBL10143850 0.93 CTSS (0.53) KLK5CTSSCTSKCTSLCTSB
SCHEMBL6675710 0.93 CTSS (0.53) KLK5CTSSCTSKCTSLCTSB
SCHEMBL31321421 0.93 CTSS (0.53) KLK5CTSSCTSKCTSLCTSB
SCHEMBL13913373 0.90 CTSS (0.50) KLK5CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226950-A1 PEPTIDOMIMETIC STAT PROTEIN DEGRADER, COMPOSITION AND USE THEREOF 杭州和正医药有限公司 2023-11-30 WO disclosed
US-11491178-B2 Chitosan covalently linked with small molecule integrin antagonist for targeted delivery HOFFMANN-LA ROCHE, INC. (US) 2022-11-08 US disclosed
CN-109104863-A Somatostatin receptor antagonist compound and its application method 克德瑞德风险投资公司 2018-12-28 CN disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
EP-2806896-B1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN LA ROCHE (CH) 2018-01-03 EP disclosed
EP-2806897-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 US disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 WO disclosed
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-07-04 US disclosed
US-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-09 US disclosed
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 US disclosed
WO-2002008222-A2 HETEROARYL-β-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
WO-2002008206-A1 3-AMINO-2-(4-AMINOCARBONYLOXY)PHENYL-PROPIONIC ACID DERIVATIVES AS ALPHA-4- INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
EP-1117657-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-07-25 EP disclosed
WO-2000018759-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-06 WO disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 KLK5 3795/4885CTSS 3453/4885CTSK 3945/4885
US-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 KLK5 3045/4885CTSS 3116/4885CTSK 3187/4885
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors ITGAL, ITGB4, ITGA4 KLK5 3150/4885CTSS 2258/4885CTSK 2176/4885
US-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 KLK5 3817/4885CTSS 3430/4885CTSK 4202/4885
US-11491178-B2 Chitosan covalently linked with small molecule integrin antagonist for targeted delivery ITGB1, ITGA4, ITGB4 KLK5 3795/4885CTSS 3453/4885CTSK 3945/4885

“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.