SCHEMBL3786607

SCHEMBL3786607

CC(C)(C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)S(=O)(=O)N1CCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.58
KMT2A Q03164 6/20 0.58
HPGD P15428 5/20 0.58
MAPT P10636 7/20 0.57
XIAP P98170 3/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 5/20 0.48
PTGS2 P35354 4/20 0.48
RORC P51449 1/20 0.48
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43

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
SCHEMBL3659566 0.87 ALDH1A1 (0.54) SMN1; SMN2KMT2AHPGDMAPTKDM4E
SCHEMBL3656851 0.79 ALDH1A1 (0.55) SMN1; SMN2KMT2AHPGDMAPTXIAP
SCHEMBL3658154 0.79 MAPT (0.56) SMN1; SMN2KMT2AMAPTKDM4EALDH1A1
SCHEMBL2754021 0.79 XIAP (0.64) SMN1; SMN2KMT2AMAPTXIAPKDM4E
SCHEMBL3176221 0.78 XIAP (0.66) SMN1; SMN2KMT2AMAPTXIAPKDM4E
SCHEMBL3658811 0.77 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AHPGDMAPTXIAP
SCHEMBL1464985 0.77 CNR2 (0.57) SMN1; SMN2KMT2AHPGDMAPTXIAP
SCHEMBL13015782 0.76 TRPV4 (0.40) SMN1; SMN2KMT2AHPGDMAPTKDM4E
SCHEMBL3779774 0.75 RAB9A (0.46) SMN1; SMN2KMT2AMAPTALDH1A1LMNA
SCHEMBL2316516 0.74 XIAP (0.57) SMN1; SMN2KMT2AMAPTXIAPKDM4E

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-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US claimed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP claimed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US claimed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4442/4885KMT2A 3644/4885HPGD 637/4885

“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.