SCHEMBL3778723

SCHEMBL3778723

NC(=O)CCS(=O)(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 3/20 0.44
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4264406 0.81 KDM4E (0.48) LMNAKDM4EALDH1A1CA12CA7
SCHEMBL15693585 0.80 CA12 (0.59) LMNAKDM4EALDH1A1CA12CA7
SCHEMBL455971 0.76 LMNA (0.51) LMNAKDM4EALDH1A1CA12CA7
SCHEMBL9608587 0.75 LMNA (0.50) LMNAKDM4EALDH1A1CA12CA7
Hydrochloric Acid SCHEMBL3665461 0.75 LMNA (0.50) LMNAKDM4EALDH1A1CA12CA7
SCHEMBL1768430 0.74 LMNA (0.46) LMNAKDM4EALDH1A1CA12CA7
SCHEMBL1768432 0.74 LMNA (0.46) LMNAKDM4EALDH1A1CA12CA7
SCHEMBL1654774 0.73 LMNA (0.49) LMNAKDM4EALDH1A1CA12CA7
SCHEMBL4274142 0.73 LMNA (0.49) LMNAKDM4EALDH1A1CA12CA7
SCHEMBL12521728 0.73 LMNA (0.42) LMNAKDM4EALDH1A1SMN1; SMN2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285783-B1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
WO-2009134666-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 WO 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 (2 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 LMNA 4481/4885KDM4E 3299/4885ALDH1A1 1785/4885
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 LMNA 4663/4885KDM4E 4244/4885ALDH1A1 911/4885

“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.