SCHEMBL4876178

SCHEMBL4876178

COC(=O)C(Cc1cc(-c2ccccc2)ncc1NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.46
SYK P43405 1/20 0.46
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
KYNU Q16719 1/20 0.43
TACR3 P29371 2/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
TACR1 P25103 2/20 0.42
MAPT P10636 1/20 0.41
PPARA Q07869 1/20 0.41
CTSK P43235 2/20 0.41
BRD9 Q9H8M2 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
SCHEMBL4873181 0.84 KLK5 (0.46) KLK5SYKALDH1A1ALOX15KYNU
SCHEMBL4798047 0.83 SYK (0.47) KLK5SYKALDH1A1ALOX15KYNU
SCHEMBL5103254 0.83 SYK (0.46) KLK5SYKALDH1A1ALOX15KYNU
SCHEMBL2212805 0.80 KLK5 (0.48) KLK5SYKALDH1A1ALOX15KYNU
SCHEMBL2212808 0.80 KLK5 (0.48) KLK5SYKALDH1A1ALOX15KYNU
SCHEMBL5161761 0.79 KLK5 (0.52) KLK5SYKALDH1A1ALOX15KYNU
SCHEMBL2213620 0.79 SYK (0.47) KLK5SYKALDH1A1ALOX15KYNU
SCHEMBL2214215 0.79 SYK (0.47) KLK5SYKALDH1A1ALOX15KYNU
SCHEMBL2209833 0.79 SYK (0.46) KLK5SYKALDH1A1ALOX15KYNU
SCHEMBL2209830 0.79 SYK (0.46) KLK5SYKALDH1A1ALOX15KYNU

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 5 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
WO-2006076597-A1 BICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO 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 2138/4885ALDH1A1 2100/4885

“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.