SCHEMBL4155616

SCHEMBL4155616

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
ADRB2 P07550 1/20 0.30
RECQL P46063 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
SCHEMBL4160301 0.92 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL4165089 0.89 GAA (0.40) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL3250632 0.87 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL4162646 0.86 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10USP2
Hydrochloric Acid SCHEMBL4158041 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL4160049 0.84 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10USP2
Butyric Acid SCHEMBL4155618 0.83 RXFP1 (0.36) KDM4EALDH1A1HPGDHSD17B10USP2
Hydrochloric Acid SCHEMBL4160925 0.82 HPGD (0.36) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL3254739 0.82 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL4154816 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10USP2

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
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
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 KDM4E 1970/4885ALDH1A1 3830/4885HPGD 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.