SCHEMBL4873181

SCHEMBL4873181

COC(=O)C(Cc1cc(-c2ccccc2)cnc1NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.46
SYK P43405 1/20 0.46
CTSK P43235 3/20 0.44
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
KYNU Q16719 1/20 0.43
TACR1 P25103 1/20 0.42
PTPN1 P18031 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
PPARA Q07869 1/20 0.41
YAP1 P46937 1/20 0.41
CTSL P07711 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL4876178 0.84 KLK5 (0.46) KLK5SYKCTSKALDH1A1ALOX15
SCHEMBL4876191 0.82 ALDH1A1 (0.49) CTSKCTSBCTSSALDH1A1ALOX15
SCHEMBL2367935 0.80 KLK5 (0.54) KLK5SYKCTSKCTSBCTSS
SCHEMBL2367312 0.80 KLK5 (0.54) KLK5SYKCTSKCTSBCTSS
SCHEMBL4798047 0.80 SYK (0.47) KLK5SYKCTSKCTSBCTSS
SCHEMBL8072127 0.78 ACE (0.60) KLK5SYKCTSKCTSBCTSS
SCHEMBL8072132 0.78 ACE (0.60) KLK5SYKCTSKCTSBCTSS
SCHEMBL5161761 0.77 KLK5 (0.52) KLK5SYKCTSKCTSBCTSS
SCHEMBL16553807 0.77 ACE (0.59) KLK5CTSKCTSBCTSSALDH1A1
SCHEMBL16553810 0.77 ACE (0.59) KLK5CTSKCTSBCTSSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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 (1 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-20060155126-A1 Bicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, GPR18 KLK5 4528/4885SYK 2138/4885CTSK 2300/4885

“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.