SCHEMBL2648374

SCHEMBL2648374

CCC(C)(C)C1CCc2c(sc(N)c2C#N)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.60
MAPT P10636 8/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 3/20 0.60
GCGR P47871 2/20 0.58
NPSR1 Q6W5P4 2/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
GAA P10253 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 6/20 0.47
ALOX15 P16050 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
PTK2B Q14289 1/20 0.47
ESR2 Q92731 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
SCHEMBL5897234 0.88 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNAGCGR
SCHEMBL1719679 0.86 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2LMNAGCGR
SCHEMBL3278029 0.82 GCGR (0.61) ALDH1A1MAPTSMN1; SMN2LMNAGCGR
SCHEMBL20254477 0.78 PTPN5 (0.53) ALDH1A1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL2649274 0.77 GCGR (0.76) ALDH1A1MAPTSMN1; SMN2LMNAGCGR
SCHEMBL1719562 0.76 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL5897153 0.76 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAGCGR
SCHEMBL2647883 0.75 GCGR (0.73) ALDH1A1MAPTSMN1; SMN2LMNAGCGR
SCHEMBL2647850 0.74 GCGR (1.00) ALDH1A1MAPTSMN1; SMN2LMNAGCGR
SCHEMBL2649360 0.74 GCGR (0.72) ALDH1A1MAPTSMN1; SMN2LMNAGCGR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP disclosed
WO-2007011647-A2 INHIBITORS OF MITOTIC KINESIN KSP KALYPSYS, INC. (US) 2007-01-25 WO disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 US disclosed
US-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP 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
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 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 (2 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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC ALDH1A1 1944/4885MAPT 3866/4885SMN1; SMN2 4264/4885
US-20060035958-A1 Method of treating diabetes and related conditions GLP1R, GPR119, GCGR ALDH1A1 2972/4885MAPT 4230/4885SMN1; SMN2 4533/4885

“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.