SCHEMBL4939783

SCHEMBL4939783

CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(-c3nc(-c4cc(-c5ccc(Cl)cc5Cl)no4)cs3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLAU P00749 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
IDH1 O75874 4/20 0.36
TP53 P04637 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
C1S P09871 1/20 0.34

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
SCHEMBL4922978 0.82 LRRK2 (0.52) LRRK2MAPTPLAUIDH1TP53
SCHEMBL4927875 0.80 LRRK2 (0.49) LRRK2MAPTNPC1RAB9AKDM4E
SCHEMBL4932395 0.79 LRRK2 (0.42) LRRK2MAPTKDM4EALDH1A1IDH1
SCHEMBL4918838 0.78 LRRK2 (0.44) LRRK2MAPTKDM4EPOLBALDH1A1
SCHEMBL4919051 0.76 LRRK2 (0.48) LRRK2MAPTNPC1RAB9AKDM4E
SCHEMBL4919058 0.75 LRRK2 (0.48) LRRK2MAPTIDH1TP53RXFP1
SCHEMBL4923074 0.74 LRRK2 (0.46) LRRK2MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4919479 0.74 LRRK2 (0.49) LRRK2MAPTNPC1RAB9AKDM4E
SCHEMBL4921833 0.73 LRRK2 (0.50) LRRK2MAPTNPC1RAB9AKDM4E
SCHEMBL4928886 0.71 LRRK2 (0.53) LRRK2KDM4EALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists NOVO NORDISK A/S (DK) 2008-11-06 US disclosed
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists NOVO NORDISK A/S (DK) 2008-11-06 US disclosed
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists NOVO NORDISK A/S (DK) 2008-11-06 US disclosed
EP-1765814-A1 CONDENSED THIOPHENE DERIVATIVES AND THEIR USE AS CYCLIC GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2007-03-28 EP disclosed
WO-2006003096-A1 CONDENSED THIOPHENE DERIVATIVES AND THEIR USE AS CYCLIC GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2006-01-12 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 (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-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists GLP1R, GIPR, GCGR LRRK2 327/4885MAPT 4242/4885NPC1 1074/4885

“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.