SCHEMBL479142

SCHEMBL479142

COP(=O)(CC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.61
CTSS P25774 6/20 0.58
CTSK P43235 5/20 0.58
CTSB P07858 2/20 0.58
CTSL P07711 1/20 0.58
KLK5 Q9Y337 1/20 0.52
ATM Q13315 1/20 0.51
AKT1 P31749 1/20 0.51
CA2 P00918 1/20 0.50
REN P00797 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
APP P05067 1/20 0.47

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
SCHEMBL479141 1.00 ACE (0.61) ACECTSSCTSKCTSBCTSL
SCHEMBL479202 0.88 ACE (0.48) ACECTSSCTSKCTSBCTSL
SCHEMBL479204 0.88 ACE (0.48) ACECTSSCTSKCTSBCTSL
SCHEMBL478955 0.88 ACE (0.50) ACECTSSCTSKCTSBCTSL
SCHEMBL3040553 0.88 ACE (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL478503 0.87 ACE (0.47) ACECTSSCTSKCTSBCTSL
SCHEMBL478502 0.87 ACE (0.47) ACECTSSCTSKCTSBCTSL
SCHEMBL3416318 0.85 L3MBTL1 (0.47) ACEATM
SCHEMBL1197426 0.83 ACE (0.61) ACECTSSCTSKCTSBCTSL
SCHEMBL1791910 0.83 ACE (0.56) ACECTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
WO-2019007383-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND 凯惠科技发展(上海)有限公司 2019-01-10 WO disclosed
US-8604056-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US disclosed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed
US-7951834-B2 Angiotensin I-converting enzyme (ACE) inhibitors UNIVERSITY OF CAPE TOWN (ZA) 2011-05-31 US disclosed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-20090281160-A1 Angiotensin I-converting enzyme (ace) inhibitors ANGIODESIGN (UK) LIMITED (GB) 2009-11-12 US disclosed
US-20090281160-A1 Angiotensin I-converting enzyme (ace) inhibitors ANGIODESIGN (UK) LIMITED (GB) 2009-11-12 US disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 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 (7 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ACE 117/4885CTSS 514/4885CTSK 664/4885
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 ACE 410/4885CTSS 541/4885CTSK 273/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ACE 117/4885CTSS 514/4885CTSK 664/4885
US-20090281160-A1 Angiotensin I-converting enzyme (ace) inhibitors ACE, ACE2, REN ACE 1/4885CTSS 172/4885CTSK 148/4885
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R ACE 1694/4885CTSS 2804/4885CTSK 1962/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ACE 117/4885CTSS 514/4885CTSK 664/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ACE 117/4885CTSS 514/4885CTSK 664/4885

“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.