SCHEMBL7216766

SCHEMBL7216766

CCOC(=O)c1cc2cc(OCc3ccccc3)c(OC)cc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.59
SRD5A2 P31213 2/20 0.59
NOD2 Q9HC29 4/20 0.56
NOD1 Q9Y239 4/20 0.56
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
F2 P00734 1/20 0.44
APP P05067 1/20 0.43
PLK1 P53350 2/20 0.43
HPGD P15428 1/20 0.43
BCL2 P10415 1/20 0.42
BID P55957 1/20 0.42
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7222548 0.89 NOD2 (0.54) SRD5A1SRD5A2NOD2NOD1NPC1
SCHEMBL7217211 0.86 NOD2 (0.60) SRD5A1SRD5A2NOD2NOD1NPC1
SCHEMBL31412992 0.85 SRD5A2 (0.78) SRD5A1SRD5A2NPC1RAB9ASMN1; SMN2
SCHEMBL31159349 0.84 NOD2 (0.61) SRD5A2NOD2NOD1NPC1RAB9A
SCHEMBL6859393 0.84 NOD2 (0.61) SRD5A2NOD2NOD1BCL2BID
SCHEMBL6858312 0.79 NOD2 (0.68) NOD2NOD1SMN1; SMN2HPGDBCL2
SCHEMBL2542152 0.79 NOD2 (0.86) NOD2NOD1SMN1; SMN2BCL2BID
SCHEMBL18332143 0.77 NOD2 (0.65) NOD2NOD1SMN1; SMN2KDM4ELMNA
SCHEMBL2347003 0.76 NOD2 (0.78) NOD2NOD1BCL2BIDMCL1
SCHEMBL10004679 0.76 NOD2 (0.78) NOD2NOD1SMN1; SMN2KDM4ELMNA

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-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 US disclosed
EP-1254115-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES Bristol-Myers Squibb Company (US) 2002-11-06 EP disclosed
US-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases BRISTOL-MYERS SQUIBB COMPANY 2002-08-29 US disclosed
WO-2001058869-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS IN TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-16 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 (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-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases CNR1, CNR2, GPR18 SRD5A1 1042/4885SRD5A2 1378/4885NOD2 780/4885

“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.