SCHEMBL6078490

SCHEMBL6078490

CC(C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
PSMB1 P20618 1/20 0.54
CTSK P43235 5/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CTSS P25774 2/20 0.52
PPARA Q07869 2/20 0.50
PSMB8 P28062 1/20 0.50
PSMB5 P28074 1/20 0.50
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
CASP1 P29466 3/20 0.48
PPARG P37231 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL6078485 1.00 SYK (0.56) SYKPSMB1CTSKADORA3ADORA2A
SCHEMBL24073320 0.90 SYK (0.54) SYKPSMB1CTSKCTSLCTSB
SCHEMBL25022027 0.90 SYK (0.54) SYKPSMB1CTSKCTSLCTSB
SCHEMBL7965696 0.90 PPARA (0.56) SYKCTSKCTSLCTSBCTSS
SCHEMBL7297130 0.90 PPARA (0.56) SYKCTSKCTSLCTSBCTSS
SCHEMBL21293862 0.90 CTSK (0.53) SYKPSMB1CTSKADORA3ADORA2A
SCHEMBL21293859 0.90 CTSK (0.53) SYKPSMB1CTSKADORA3ADORA2A
SCHEMBL45447 0.90 CASP1 (0.59) SYKCTSKCTSLCTSBCTSS
SCHEMBL16689484 0.90 CASP1 (0.59) SYKCTSKCTSLCTSBCTSS
SCHEMBL2619551 0.90 CASP1 (0.59) SYKCTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2024-05-16 US disclosed
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof AXIAL THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
EP-4171547-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Axial Therapeutics, Inc. (US) 2023-05-03 EP disclosed
US-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2023-02-16 US disclosed
CN-115636903-A Low-shrinkage resin and preparation method thereof 浙江福雕文化创意有限公司 2023-01-24 CN disclosed
US-7081460-B2 Quinazoline and quinazoline-like compounds for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-07-25 US disclosed
EP-1389205-B1 QUINAZOLINE AND QUINAZOLINE-LIKE COMPOUNDS FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARMACEUTICAL RE (US) 2005-12-21 EP disclosed
EP-1389205-A1 QUINAZOLINE AND QUINAZOLINE-LIKE COMPOUNDS FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS Ortho-McNeil Pharmaceutical Research Inc. (US) 2004-02-18 EP disclosed
US-20030139398-A1 Quinazoline and quinazoline-like compounds for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-24 US disclosed
WO-2002081467-A1 QUINAZOLINE AND QUINAZOLINE-LIKE COMPOUNDS FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-10-17 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 (4 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-20230051773-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 SYK 397/4885PSMB1 1791/4885CTSK 2969/4885
US-20030139398-A1 Quinazoline and quinazoline-like compounds for the treatment of integrin-mediated disorders ITGB2, ITGB5, ITGB3 SYK 1580/4885PSMB1 2459/4885CTSK 1661/4885
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 SYK 397/4885PSMB1 1791/4885CTSK 2969/4885
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof TLR2, TLR3, TLR4 SYK 397/4885PSMB1 1791/4885CTSK 2969/4885

“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.