SCHEMBL2648459

SCHEMBL2648459

CCC1CCc2c(sc(NC(=O)C3CC3c3ccccc3)c2C#N)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
MAPT P10636 5/20 0.69
HPGD P15428 3/20 0.69
POLB P06746 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
PTPN5 P54829 1/20 0.60
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
GCGR P47871 1/20 0.49
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
TNIK Q9UKE5 1/20 0.48
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL1208722 0.92 ALDH1A1 (0.58) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL1207931 0.87 ALDH1A1 (0.53) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL2649810 0.86 MAPT (0.69) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL1207838 0.81 ALDH1A1 (0.51) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL1207118 0.81 ALDH1A1 (0.51) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL4693771 0.80 PTPN5 (0.63) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL1208741 0.80 MAPT (0.53) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL1207929 0.79 ALDH1A1 (0.52) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL2894559 0.79 ALDH1A1 (0.47) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL1208914 0.79 ALDH1A1 (0.51) ALDH1A1MAPTHPGDPOLBSMN1; 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 2972/4885MAPT 4230/4885HPGD 1455/4885

“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.