SCHEMBL3878792

SCHEMBL3878792

CON(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.60
CTSK P43235 6/20 0.60
JAK3 P52333 1/20 0.51
BTK Q06187 1/20 0.51
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
SCN9A Q15858 2/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ACE P12821 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
PTPN1 P18031 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PABPC1 P11940 1/20 0.42

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
SCHEMBL3989315 1.00 CTSS (0.60) CTSSCTSKJAK3BTKCTSL
SCHEMBL9963893 0.89 CTSS (0.60) CTSSCTSKJAK3BTKCTSL
SCHEMBL740864 0.88 CTSS (0.60) CTSSCTSKJAK3BTKCTSL
SCHEMBL476153 0.88 JAK3 (0.48) CTSSCTSKJAK3BTKCTSL
SCHEMBL6345086 0.88 JAK3 (0.51) CTSSCTSKJAK3BTKCTSL
SCHEMBL13977456 0.88 CTSS (0.60) CTSSCTSKJAK3BTKCTSL
SCHEMBL7033261 0.88 PPARG (0.52) CTSSCTSKJAK3BTKCTSL
SCHEMBL476152 0.88 JAK3 (0.48) CTSSCTSKJAK3BTKCTSL
SCHEMBL740863 0.88 CTSS (0.60) CTSSCTSKJAK3BTKCTSL
SCHEMBL268923 0.88 JAK3 (0.51) CTSSCTSKJAK3BTKCTSL

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
US-20250051283-A1 THERAPEUTIC COMPOUNDS AND METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-02-13 US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-6974869-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity DELUCCA GEORGE V 2005-11-24 US disclosed
US-20030144277-A1 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-31 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 (6 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-20030144277-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 CTSS 2447/4885CTSK 2578/4885JAK3 504/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CTSS 210/4885CTSK 174/4885JAK3 4766/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 CTSS 199/4885CTSK 307/4885JAK3 4609/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CTSS 210/4885CTSK 174/4885JAK3 4766/4885
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 CTSS 2327/4885CTSK 2434/4885JAK3 468/4885
US-20250051283-A1 THERAPEUTIC COMPOUNDS AND METHODS EIF2AK2, SARS1, REN CTSS 1617/4885CTSK 3060/4885JAK3 215/4885

“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.