SCHEMBL4390871

SCHEMBL4390871

CCOC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.73
ALDH1A1 P00352 5/20 0.73
TSHR P16473 4/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
KDM4E B2RXH2 4/20 0.70
NPSR1 Q6W5P4 2/20 0.70
ALOX15 P16050 1/20 0.70
HSD17B10 Q99714 1/20 0.70
HPGD P15428 1/20 0.67
GAA P10253 1/20 0.67
CNR1 P21554 1/20 0.66
CNR2 P34972 1/20 0.66
HTT P42858 1/20 0.65
TLR2 O60603 4/20 0.65
TP53 P04637 1/20 0.65
LMNA P02545 2/20 0.64
ATM Q13315 1/20 0.64
PDE4D Q08499 1/20 0.64
KMT2A Q03164 1/20 0.63

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
SCHEMBL8288671 0.89 MAPT (0.67) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL2306161 0.87 MAPT (0.76) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL20711040 0.86 MAPT (0.68) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL8289712 0.86 KDM4E (0.67) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL11381277 0.86 ALDH1A1 (0.80) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL5451004 0.85 MAPT (0.77) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL18506966 0.85 KDM4E (0.78) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL11924525 0.85 MAPT (0.73) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL13779376 0.84 ALDH1A1 (0.81) MAPTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL6316126 0.84 PTPN1 (0.55) MAPTALDH1A1TSHRSMN1; SMN2KDM4E

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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 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-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 (2 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 MAPT 3062/4885ALDH1A1 4718/4885TSHR 3503/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 MAPT 2046/4885ALDH1A1 4655/4885TSHR 3695/4885

“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.