SCHEMBL4159660

SCHEMBL4159660

CCN(C1CCN(C)C1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCCC(=O)O)c3c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.35
HTR1B P28222 4/20 0.35
KDM4E B2RXH2 9/20 0.34
HPGD P15428 7/20 0.34
ALDH1A1 P00352 6/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HSD17B10 Q99714 5/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A2 P23975 1/20 0.32
CYP3A4 P08684 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
USP2 O75604 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
Hydrochloric Acid SCHEMBL4157858 0.86 SLC6A2 (0.45) KDM4EHPGDALDH1A1RXFP1HSD17B10
Hydrochloric Acid SCHEMBL4157861 0.86 SLC6A2 (0.45) KDM4EHPGDALDH1A1RXFP1HSD17B10
SCHEMBL3251638 0.86 HPGD (0.41) KDM4EHPGDALDH1A1RXFP1HSD17B10
SCHEMBL3251634 0.86 HPGD (0.41) KDM4EHPGDALDH1A1RXFP1HSD17B10
SCHEMBL4166910 0.83 KDM4E (0.39) HTR1DHTR1BKDM4EHPGDALDH1A1
SCHEMBL4161381 0.83 HTR1B (0.37) HTR1DHTR1BMAPTLMNATP53
SCHEMBL4155240 0.83 KDM4E (0.35) KDM4EHPGDALDH1A1RXFP1HSD17B10
Butyric Acid SCHEMBL4159661 0.82 RXFP1 (0.38) KDM4EHPGDALDH1A1RXFP1HSD17B10
Butyric Acid SCHEMBL4161016 0.82 RXFP1 (0.38) KDM4EHPGDALDH1A1RXFP1HSD17B10
Hydrochloric Acid SCHEMBL4155425 0.81 KDM4E (0.35) KDM4ERXFP1HSD17B10MAPTGAA

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 HTR1D 4632/4885HTR1B 4141/4885KDM4E 1970/4885

“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.