SCHEMBL3662329

SCHEMBL3662329

CC(C)(C(=O)Nc1nc(-c2ccncc2)cs1)S(=O)(=O)N1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.50
ROCK2 O75116 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
USP2 O75604 3/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 2/20 0.48
NCOA2 Q15596 2/20 0.48
NCOA1 Q15788 2/20 0.48
NCOA3 Q9Y6Q9 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL3658990 0.90 LMNA (0.53) ROCK1MEN1KMT2AHSD17B10KDM4E
SCHEMBL3661597 0.89 ABL1 (0.56) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL3659482 0.89 KMT2A (0.52) ROCK1MEN1KMT2AHSD17B10KDM4E
SCHEMBL3655183 0.85 LMNA (0.59) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL3659111 0.84 NPC1 (0.59) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL3659515 0.81 ATAD2 (0.53) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL3784705 0.80 ADORA1 (0.64) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL1621622 0.80 ROCK1 (0.54) ROCK1ROCK2PARP1CLK1WNT3A
SCHEMBL3655670 0.79 ATAD2 (0.43) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3658323 0.78 TMIGD3 (0.58) MEN1KMT2AHSD17B10KDM4EALDH1A1

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 ROCK1 3100/4885ROCK2 3072/4885MEN1 4834/4885

“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.