SCHEMBL13903461

SCHEMBL13903461

O=C1c2ccc(-c3ccc4c(c3)C(=O)N(CCCS(=O)(=O)O)C4=O)cc2C(=O)N1CCCSOOO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL13913061 0.85 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL14023220 0.71 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL918303 0.71 TDP1 (0.51) CYP1A2CYP2D6CYP2C19SMN1; SMN2MAPT
SCHEMBL2284215 0.70 TDP1 (0.50) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL3670226 0.70 TDP1 (0.50) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL13765228 0.69 APP (0.39) CYP2C19
SCHEMBL14369320 0.69 PTPN1 (0.30) —
SCHEMBL2169798 0.67 TDP1 (0.54) ACHE
SCHEMBL21867108 0.67 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHSD17B10MAPK1
SCHEMBL24813700 0.67 STAT3 (0.57) KDM4EALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2009-03-26 — — US 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-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY NGF, BDNF, NTRK2 KDM4E 4479/4885ALDH1A1 2086/4885MEN1 3865/4885

“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.

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