SCHEMBL3779774

SCHEMBL3779774

Cc1nc(NC(=O)C(C)(C)S(=O)(=O)N2CCC2)sc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.38
SLC27A1 Q6PCB7 1/20 0.38
LMNA P02545 1/20 0.37
FPR3 P25089 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL3654247 0.88 KMT2A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3656851 0.80 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1PKMMAPTMEN1
SCHEMBL3658362 0.79 TSHR (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL3658154 0.77 MAPT (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3660613 0.77 MEN1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL3662426 0.76 CNR2 (0.33) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL3659515 0.75 ATAD2 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3786607 0.75 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3659108 0.74 HPGD (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3661587 0.74 PDPK1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 RAB9A 2264/4885NPC1 1315/4885SMN1; SMN2 4442/4885

“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.