SCHEMBL4763395

SCHEMBL4763395

Nn1cccc(C(=O)O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 5/20 0.42
CASP7 P55210 2/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
APEX1 P27695 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAPRT Q6XQN6 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HMGB1 P09429 1/20 0.40
HPGD P15428 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7828749 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15KDM4ECASP7CASP1
SCHEMBL27907517 0.76 ALDH1A1 (0.43) ALDH1A1ALOX15KDM4ECASP7CASP1
Hydrochloric Acid SCHEMBL17595031 0.75 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4ECASP7CASP1
SCHEMBL28860659 0.75 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4ECASP7CASP1
Hydrochloric Acid SCHEMBL17597735 0.75 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4ECASP7CASP1
SCHEMBL2280624 0.75 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4ECASP7CASP1
SCHEMBL14115569 0.75 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4ECASP7CASP1
Hydrochloric Acid SCHEMBL17597430 0.73 ALDH1A1 (0.44) ALDH1A1ALOX15KDM4ECASP7CASP1
SCHEMBL17477692 0.72 BRD4 (0.51) ALDH1A1ALOX15KDM4ETDP1SMN1; SMN2
SCHEMBL1137068 0.72 KDM4E (0.54) ALDH1A1ALOX15KDM4ECASP7CASP1

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-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 US disclosed
EP-1309565-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 WO 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 ALDH1A1 852/4885ALOX15 3555/4885KDM4E 4142/4885

“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.