SCHEMBL3255176

SCHEMBL3255176

C#CCN(CCN(C(=O)OC(C)(C)C)C(C)C)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)OCCC)c3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.36
KDM4E B2RXH2 7/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 4/20 0.36
USP2 O75604 3/20 0.36
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 5/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRB2 P47870 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3254739 0.92 KDM4E (0.38) HSD17B10KDM4EHPGDALDH1A1USP2
SCHEMBL3241772 0.90 KDM4E (0.36) HSD17B10KDM4EHPGDALDH1A1USP2
SCHEMBL13951119 0.88 HSD17B10 (0.38) HSD17B10KDM4EHPGDALDH1A1USP2
SCHEMBL3245537 0.87 KDM4E (0.41) HSD17B10KDM4EHPGDALDH1A1USP2
SCHEMBL3254734 0.86 HSD17B10 (0.38) HSD17B10KDM4EHPGDALDH1A1USP2
SCHEMBL13950925 0.86 HSD17B10 (0.41) HSD17B10KDM4EHPGDALDH1A1USP2
SCHEMBL13928183 0.86 HPGD (0.41) HSD17B10KDM4EHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL3253818 0.85 HPGD (0.40) HSD17B10KDM4EHPGDALDH1A1USP2
SCHEMBL13928182 0.85 HSD17B10 (0.42) HSD17B10KDM4EHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL3250874 0.84 HSD17B10 (0.42) HSD17B10KDM4EHPGDALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
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
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 HSD17B10 3847/4885KDM4E 1970/4885HPGD 882/4885

“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.