SCHEMBL3658445

SCHEMBL3658445

CC(C)(C(=O)Nc1cc(-c2cccs2)no1)S(=O)(=O)N1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.41
RAB9A P51151 8/20 0.41
NPC1 O15118 6/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 4/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 9/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 4/20 0.39
USP2 O75604 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL3775573 0.83 RORC (0.47) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL3655183 0.80 LMNA (0.59) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL1463628 0.78 CNR2 (0.55) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL3659507 0.78 MAPK14 (0.45) CNR2
SCHEMBL3659508 0.77 CNR2 (0.58) ALDH1A1CNR2
SCHEMBL3660028 0.76 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNACNR2
SCHEMBL3660761 0.75 CNR2 (0.42) CNR2
SCHEMBL10217303 0.74 CNR2 (0.61) CNR2
SCHEMBL3655721 0.73 CNR2 (0.43) ALDH1A1LMNACNR2
SCHEMBL3658045 0.69 CNR2 (0.56) SMN1; SMN2ALDH1A1LMNACNR2

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 12 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
EP-2217565-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-18 EP claimed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 WO 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 4442/4885RAB9A 2264/4885NPC1 1315/4885

“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.