SCHEMBL3921416

SCHEMBL3921416

CC1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
HPGD P15428 7/20 0.81
ALDH1A1 P00352 7/20 0.81
RAB9A P51151 6/20 0.81
NPC1 O15118 5/20 0.81
KDM4E B2RXH2 4/20 0.81
HSD17B10 Q99714 3/20 0.81
POLB P06746 2/20 0.81
KIF11 P52732 4/20 0.75
MAPT P10636 4/20 0.69
LMNA P02545 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
GAA P10253 1/20 0.67
TNF P01375 4/20 0.67
NOD1 Q9Y239 4/20 0.67
L3MBTL1 Q9Y468 1/20 0.63
TP53 P04637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
NOD2 Q9HC29 1/20 0.58

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
SCHEMBL3922433 0.90 MEN1 (0.82) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL15281362 0.83 KMT2A (0.71) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL3918724 0.82 HPGD (1.00) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL21247231 0.80 MAPT (0.76) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL7901259 0.78 TP53 (0.81) MEN1KMT2AHPGDRAB9ANPC1
SCHEMBL23752237 0.78 KIF11 (1.00) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL21260633 0.76 TNF (0.62) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL2182372 0.76 TP53 (0.80) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL12469953 0.73 MAPT (0.76) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL12443131 0.73 TP53 (0.80) MEN1KMT2AHPGDALDH1A1RAB9A

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 MEN1 2985/4885KMT2A 3792/4885HPGD 964/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 MEN1 2405/4885KMT2A 3324/4885HPGD 852/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B MEN1 4022/4885KMT2A 4066/4885HPGD 2459/4885

“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.