SCHEMBL4171968

SCHEMBL4171968

COc1cc2[nH]c(=O)c3[nH]cc(CCCC(=O)O)c3c2cc1S(=O)(=O)N(C)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
MC4R P32245 8/20 0.34
MC3R P41968 8/20 0.34
MC5R P33032 6/20 0.34
SERPINE1 P05121 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 3/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
CXCR2 P25025 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL4162508 0.89 PKM (0.35) PKMMC4RMC3RMC5RSERPINE1
SCHEMBL4171744 0.89 PKM (0.35) PKMMC4RMC3RMC5RMAPT
SCHEMBL4166910 0.84 KDM4E (0.39) MC4RMC3RMC5RMEN1KMT2A
SCHEMBL3247132 0.83 PKM (0.39) PKMMEN1HTTKMT2AMCOLN3
SCHEMBL4159472 0.79 HTR1D (0.37) MEN1KMT2AL3MBTL1MAPTHPGD
SCHEMBL4157860 0.79 MAPT (0.37) MEN1KMT2AMAPTHPGDHTR1D
Butyric Acid SCHEMBL4171971 0.79 PKM (0.36) PKMSERPINE1MEN1HTTKMT2A
SCHEMBL3251623 0.78 ALDH1A1 (0.36) PKMMEN1HTTKMT2AMCOLN3
SCHEMBL4169376 0.78 MPO (0.33) SERPINE1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4161009 0.78 GPR17 (0.36) MEN1KMT2AL3MBTL1KDM4EALDH1A1

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 PKM 276/4885MC4R 3536/4885MC3R 3145/4885

“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.