SCHEMBL4496568

SCHEMBL4496568

CC(Cc1cccc(Br)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.64
CTSK P43235 5/20 0.64
CTSB P07858 3/20 0.64
CTSL P07711 2/20 0.47
ATM Q13315 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
AAK1 Q2M2I8 5/20 0.46
ACE P12821 1/20 0.46
PTGES O14684 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL30346429 1.00 CTSS (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL21583861 1.00 CTSS (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL4838552 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL23900516 0.85 JAK2 (0.50) CTSSCTSKCTSBCTSLATM
SCHEMBL2141200 0.85 CTSS (0.48) CTSSCTSKCTSBCTSLATM
SCHEMBL2141206 0.85 CTSS (0.48) CTSSCTSKCTSBCTSLATM
SCHEMBL4859989 0.85 CTSS (0.61) CTSSCTSKCTSBCTSLATM
SCHEMBL20905314 0.85 CTSS (0.71) CTSSCTSKCTSBCTSLAAK1
SCHEMBL4859984 0.85 CTSS (0.61) CTSSCTSKCTSBCTSLATM
SCHEMBL2333358 0.85 CTSS (0.74) CTSSCTSKCTSBCTSLACE

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813288-A Arylamino derivative estrogen receptor modulator and use thereof 西藏海思科制药有限公司 2024-04-02 CN disclosed
CN-115594673-A Estrogen receptor modulators and uses thereof 扬子江药业集团南京海陵药业有限公司(CN) 2023-01-13 CN disclosed
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 US disclosed
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 US disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 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 (2 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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT CTSS 255/4885CTSK 611/4885CTSB 776/4885
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 CTSS 2769/4885CTSK 2948/4885CTSB 2659/4885

“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.