SCHEMBL4917837

SCHEMBL4917837

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
LRRK2 Q5S007 1/20 0.43
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS2 P35354 2/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KIF11 P52732 1/20 0.33
VNN1 O95497 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC4 P56524 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC10 Q969S8 2/20 0.32

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
SCHEMBL14007304 0.85 KCNH2 (0.51) ALDH1A1PKMLRRK2KCNH2LMNA
SCHEMBL4924480 0.85 LRRK2 (0.47) ALDH1A1PKMLRRK2LMNANPSR1
SCHEMBL4917671 0.83 ALDH1A1 (0.42) ALDH1A1PKMLRRK2LMNANPSR1
SCHEMBL4919003 0.81 LRRK2 (0.46) ALDH1A1PKMLRRK2LMNANPSR1
SCHEMBL4923124 0.78 LRRK2 (0.45) ALDH1A1PKMLRRK2MEN1KMT2A
SCHEMBL4923069 0.78 ALDH1A1 (0.48) ALDH1A1PKMLRRK2LMNANPSR1
SCHEMBL4925499 0.77 ALDH1A1 (0.47) ALDH1A1PKMLRRK2LMNANPSR1
SCHEMBL4930298 0.76 LRRK2 (0.52) ALDH1A1PKMLRRK2MEN1CYP3A4
SCHEMBL4929001 0.74 LRRK2 (0.45) ALDH1A1PKMLRRK2LMNANPSR1
SCHEMBL7433903 0.74 ALDH1A1 (0.73) ALDH1A1PKMLRRK2LMNANPSR1

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 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.