SCHEMBL3993545

SCHEMBL3993545

CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
MAPT P10636 7/20 0.71
KDM4E B2RXH2 5/20 0.71
HPGD P15428 5/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
CNR2 P34972 1/20 0.56
LMNA P02545 2/20 0.56
TLR2 O60603 3/20 0.56
TP53 P04637 2/20 0.56
TDP1 Q9NUW8 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HSD17B10 Q99714 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE4D Q08499 1/20 0.53

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
SCHEMBL3985021 0.88 MAPT (0.70) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3985017 0.88 MAPT (0.70) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3985611 0.86 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8290510 0.86 MAPT (0.77) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3916162 0.84 MAPT (0.80) ALDH1A1MAPTKDM4EHPGDCNR2
SCHEMBL2927596 0.83 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL8288610 0.81 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL13576561 0.80 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3924737 0.80 MAPT (0.77) ALDH1A1MAPTKDM4EHPGDCNR2
SCHEMBL21597594 0.79 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US claimed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 US claimed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 US claimed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US disclosed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 US disclosed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 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 (3 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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM ALDH1A1 4718/4885MAPT 3062/4885KDM4E 2651/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 ALDH1A1 4655/4885MAPT 2046/4885KDM4E 2941/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B ALDH1A1 4146/4885MAPT 2119/4885KDM4E 2173/4885

“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.