SCHEMBL2648282

SCHEMBL2648282

CC(C)(C)C1CCc2c(sc(NC(=O)C3CCCC3)c2C#N)C1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
HPGD P15428 7/20 0.68
LMNA P02545 4/20 0.68
POLB P06746 3/20 0.68
GAA P10253 2/20 0.68
USP2 O75604 1/20 0.63
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
KDM4E B2RXH2 3/20 0.61
HSD17B10 Q99714 1/20 0.59
GCGR P47871 1/20 0.57
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 2/20 0.55
THRB P10828 1/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL2649360 0.89 GCGR (0.72) ALDH1A1HPGDLMNAPOLBGAA
SCHEMBL21260638 0.81 MAPT (0.60) ALDH1A1HPGDLMNAPOLBGAA
SCHEMBL14581045 0.81 GCGR (0.63) ALDH1A1HPGDLMNAPOLBGAA
SCHEMBL2462289 0.81 PTPN5 (0.71) ALDH1A1HPGDLMNAPOLBGAA
SCHEMBL2462294 0.81 PTPN5 (0.71) ALDH1A1HPGDLMNAPOLBGAA
SCHEMBL2649089 0.78 POLB (0.66) ALDH1A1HPGDLMNAPOLBGAA
SCHEMBL2649911 0.78 ALDH1A1 (0.57) ALDH1A1HPGDLMNAPOLBGAA
SCHEMBL8292408 0.77 ALDH1A1 (0.97) ALDH1A1HPGDLMNAPOLBGAA
SCHEMBL2648262 0.77 GCGR (0.72) ALDH1A1HPGDLMNAPOLBGAA
SCHEMBL3924716 0.76 ANO1 (0.77) ALDH1A1HPGDLMNAMAPTSMN1; SMN2

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
US-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 US claimed
EP-1538903-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS Merck & Co., Inc. (US) 2005-06-15 EP claimed
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 WO claimed
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 ALDH1A1 2972/4885HPGD 1455/4885LMNA 4067/4885

“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.