SCHEMBL2648246

SCHEMBL2648246

CCC(CC)C(=O)Nc1sc2c(c1C#N)CCCC2C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.54
ALDH1A1 P00352 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2666078 0.84 GCGR (0.41) GCGRALDH1A1LMNAMAPK1ATM
SCHEMBL2650034 0.79 GCGR (0.57) GCGRALDH1A1RAB9ANPC1POLB
SCHEMBL2658305 0.76 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1POLBLMNA
SCHEMBL2648159 0.76 GCGR (0.68) GCGRALDH1A1RAB9ANPC1POLB
SCHEMBL2648328 0.74 GCGR (0.64) GCGRLMNA
SCHEMBL2650404 0.74 GCGR (0.72) GCGRALDH1A1RAB9ANPC1POLB
SCHEMBL4040586 0.73 GCGR (0.51) GCGRALDH1A1RAB9ANPC1POLB
SCHEMBL4045910 0.71 GCGR (0.60) GCGRALDH1A1RAB9ANPC1POLB
SCHEMBL4040577 0.70 GCGR (0.59) GCGRALDH1A1RAB9ANPC1POLB
SCHEMBL4040868 0.70 GCGR (0.48) GCGRALDH1A1RAB9ANPC1POLB

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-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 US disclosed
EP-1538903-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 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-20060035958-A1 Method of treating diabetes and related conditions GLP1R, GPR119, GCGR GCGR 3/4885ALDH1A1 2972/4885RAB9A 3932/4885

“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.