SCHEMBL1876102

SCHEMBL1876102

CC(C)(C(=O)Nc1ncc(C2CCOCC2)s1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C#N)cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.38
GCK P35557 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 4/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR2 O15552 1/20 0.34
IDH2 P48735 1/20 0.33
CTPS1 P17812 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NOD2 Q9HC29 1/20 0.32

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
SCHEMBL3968152 0.88 CNR2 (0.53) CNR2SMN1; SMN2CNR1LMNA
SCHEMBL3963538 0.86 CNR2 (0.39) CNR2GCKCNR1
SCHEMBL1464422 0.81 NPC1 (0.42) SMN1; SMN2LMNAHTTKDM4EPOLB
SCHEMBL1464477 0.81 CNR2 (0.54) CNR2SMN1; SMN2CNR1FFAR2IDH2
SCHEMBL1465823 0.75 FFAR2 (0.48) CNR2SMN1; SMN2CNR1LMNAHTT
SCHEMBL1464662 0.73 CNR2 (0.58) CNR2SMN1; SMN2CNR1LMNAHTT
SCHEMBL1465056 0.69 FFAR2 (0.49) CNR2CNR1FFAR2CTPS1
SCHEMBL1464679 0.69 FFAR2 (0.51) CNR2SMN1; SMN2CNR1LMNAHTT
SCHEMBL1464407 0.69 FFAR2 (0.60) CNR2CNR1FFAR2
SCHEMBL1464798 0.69 ADORA1 (0.56) CNR2GCKSMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 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-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885GCK 2782/4885SMN1; SMN2 4576/4885

“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.