SCHEMBL2157263

SCHEMBL2157263

CCC1(C(=O)O)CCCCN1C(=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FABP6 P51161 1/20 0.41
STAT3 P40763 1/20 0.40
HPGD P15428 1/20 0.40
APP P05067 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL8506510 0.86 HPGD (0.45) MAPK1ALDH1A1HPGD
SCHEMBL31106410 0.86 HPGD (0.45) MAPK1ALDH1A1HPGD
SCHEMBL5966136 0.76 CES2 (0.38) ALDH1A1HPGD
SCHEMBL31106414 0.74 CYP3A4 (0.47) GAAMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL31106403 0.74 CYP3A4 (0.47) GAAMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29457007 0.70 PKM (0.66) MAPK1ALDH1A1POLBTDP1HPGD
SCHEMBL6640482 0.70 PKM (0.66) MAPK1ALDH1A1POLBTDP1HPGD
SCHEMBL5966095 0.70 FKBP1A (0.52) CHRM2ALDH1A1
SCHEMBL5966058 0.69 CES2 (0.40)
SCHEMBL15560427 0.69 TSHR (0.46) GAAALDH1A1POLBLMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP disclosed
US-20110184011-A1 Compounds SELCIA LIMITED (GB) 2011-07-28 US disclosed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 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-20110184011-A1 Compounds COL1A1, ALDH1A2, COL2A1 CHRM2 178/4885GAA 3174/4885MAPK1 3411/4885

“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.