SCHEMBL4917671

SCHEMBL4917671

CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(C(=O)c3ccc(OCC(=O)O)cc3)c2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
PKM P14618 1/20 0.42
LRRK2 Q5S007 1/20 0.42
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR35 Q9HC97 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4927681 0.78 LRRK2 (0.45) ALDH1A1PKMLRRK2GAALMNA
SCHEMBL4930298 0.75 LRRK2 (0.52) ALDH1A1PKMLRRK2POLBMEN1
SCHEMBL4929001 0.73 LRRK2 (0.45) ALDH1A1PKMLRRK2LMNANPSR1
SCHEMBL7433903 0.73 ALDH1A1 (0.73) ALDH1A1PKMLRRK2MEN1KMT2A
SCHEMBL4925973 0.72 LRRK2 (0.46) ALDH1A1PKMLRRK2MEN1KMT2A
SCHEMBL14007319 0.72 MAPT (0.46) ALDH1A1PKMLRRK2POLBKDM4E
SCHEMBL14007316 0.70 BRD4 (0.41) ALDH1A1PKMLRRK2POLBMEN1
SCHEMBL4927639 0.70 LRRK2 (0.44) ALDH1A1PKMLRRK2GAAKDM4E
SCHEMBL4927981 0.69 ALDH1A1 (0.50) ALDH1A1PKMLRRK2MEN1KMT2A
SCHEMBL14007304 0.69 KCNH2 (0.51) ALDH1A1PKMLRRK2MEN1KMT2A

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 3 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

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 ALDH1A1 2002/4885PKM 2177/4885LRRK2 327/4885

“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.