SCHEMBL3658362

SCHEMBL3658362

CC(C)(C(=O)Nc1nc2c(s1)CCCC2)S(=O)(=O)N1CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 11/20 0.49
MAPT P10636 7/20 0.49
KMT2A Q03164 5/20 0.49
HSD17B10 Q99714 5/20 0.49
GAA P10253 4/20 0.49
MEN1 O00255 4/20 0.49
POLB P06746 3/20 0.49
RECQL P46063 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 10/20 0.47
SMN1; SMN2 Q16637 8/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
HPGD P15428 2/20 0.46
CASP3 P42574 1/20 0.46

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
SCHEMBL1620050 0.81 TSHR (0.54) TSHRALDH1A1MAPTKMT2AHSD17B10
SCHEMBL13015658 0.79 TSHR (0.66) TSHRALDH1A1MAPTKMT2AHSD17B10
SCHEMBL3779774 0.79 RAB9A (0.46) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL1620051 0.79 TSHR (0.52) TSHRALDH1A1MAPTKMT2AHSD17B10
SCHEMBL3654247 0.77 KMT2A (0.42) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL1463882 0.76 LMNA (0.52) TSHRALDH1A1MAPTKMT2AHSD17B10
SCHEMBL1463734 0.75 CNR2 (0.53) TSHRALDH1A1MAPTKMT2AHSD17B10
SCHEMBL3658154 0.74 MAPT (0.56) TSHRALDH1A1MAPTKMT2AHSD17B10
SCHEMBL3660613 0.74 MEN1 (0.48) TSHRALDH1A1MAPTKMT2AMEN1
SCHEMBL6999293 0.74 TSHR (0.61) TSHRALDH1A1MAPTKMT2AHSD17B10

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 TSHR 876/4885ALDH1A1 1785/4885MAPT 3638/4885

“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.