SCHEMBL4153193

SCHEMBL4153193

CN(C1CCC(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
HPGD P15428 5/20 0.37
HSD17B10 Q99714 4/20 0.37
MAPT P10636 6/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 5/20 0.35
MEN1 O00255 1/20 0.35
ADRB2 P07550 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 3/20 0.35
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL3250056 0.90 GAA (0.47) GAAHPGDHSD17B10MAPTLMNA
SCHEMBL3247121 0.85 GAA (0.44) GAAHPGDHSD17B10MAPTLMNA
SCHEMBL4712743 0.84 MAPT (0.38) GAAMAPTLMNAALDH1A1KDM4E
SCHEMBL3248642 0.84 GAA (0.43) GAAHPGDHSD17B10MAPTLMNA
SCHEMBL3248785 0.84 GAA (0.43) GAAHPGDHSD17B10MAPTLMNA
SCHEMBL4153191 0.83 ACACB (0.42) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3255223 0.81 KDM4E (0.37) GAAHPGDHSD17B10MAPTLMNA
SCHEMBL3246046 0.80 KDM4E (0.46) HPGDHSD17B10MAPTLMNAALDH1A1
SCHEMBL3255165 0.80 KDM4E (0.35) GAAHPGDHSD17B10MAPTLMNA
SCHEMBL3255219 0.79 MAPT (0.35) GAAHPGDHSD17B10MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 GAA 3035/4885HPGD 882/4885HSD17B10 3847/4885

“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.