SCHEMBL14722747

SCHEMBL14722747

CCC(=O)c1ccc2c(c1)ncn2C1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 9/20 0.48
ALDH1A1 P00352 9/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL14723344 0.87 GAA (0.55) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL14723167 0.87 GAA (0.68) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL15209528 0.84 GAA (0.45) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL14722627 0.84 GAA (0.45) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL1847788 0.84 GAA (0.52) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL14723224 0.81 HPGD (0.53) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL14723227 0.81 GAA (0.48) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL1844662 0.77 HSD17B10 (0.42) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL1844583 0.76 FGFR1 (0.44) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL15208541 0.76 GAA (0.46) GAAHSD17B10HPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 GAA 3564/4885HSD17B10 3921/4885HPGD 3486/4885

“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.