SCHEMBL3914076

SCHEMBL3914076

CC1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(N)=O)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.73
▸ FLT3 P36888 3/20 0.70
▸ RXFP1 Q9HBX9 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ DUSP3 P51452 1/20 0.60
▸ PTPN5 P54829 1/20 0.60
▸ PTPN11 Q06124 1/20 0.60
▸ KDM4E B2RXH2 2/20 0.59
▸ THRB P10828 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ PDE4B Q07343 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ TNIK Q9UKE5 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ AIP O00170 1/20 0.56
▸ SGTA O43765 1/20 0.56
▸ TOMM70 O94826 1/20 0.56
▸ STIP1 P31948 1/20 0.56

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
SCHEMBL8289822 0.85 MAPT (0.68) MAPTRXFP1ALDH1A1L3MBTL1DUSP3
SCHEMBL8288667 0.84 MAPT (1.00) MAPTRXFP1ALDH1A1L3MBTL1DUSP3
SCHEMBL13574989 0.83 MAPT (0.72) MAPTRXFP1ALDH1A1L3MBTL1DUSP3
SCHEMBL21045428 0.83 FLT3 (0.95) MAPTFLT3RXFP1ALDH1A1L3MBTL1
SCHEMBL8290726 0.83 FLT3 (1.00) MAPTFLT3RXFP1ALDH1A1L3MBTL1
SCHEMBL12632694 0.82 FLT3 (0.98) MAPTFLT3RXFP1ALDH1A1L3MBTL1
SCHEMBL2182372 0.82 TP53 (0.80) MAPTFLT3ALDH1A1L3MBTL1DUSP3
SCHEMBL8290418 0.81 MAPT (0.65) MAPTRXFP1ALDH1A1L3MBTL1DUSP3
SCHEMBL8289514 0.81 AIP (0.69) MAPTRXFP1ALDH1A1L3MBTL1DUSP3
SCHEMBL8290636 0.80 MAPT (0.64) MAPTRXFP1ALDH1A1L3MBTL1DUSP3

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 14 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 — — US claimed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 — — EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 — — WO claimed
EP-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 — — EP 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
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 — — WO 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 — — US disclosed
EP-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 — — EP 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
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 — — 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 (4 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 3062/4885FLT3 1858/4885RXFP1 2550/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 MAPT 21/4885FLT3 3509/4885RXFP1 4595/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 MAPT 2046/4885FLT3 1906/4885RXFP1 2697/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B MAPT 2119/4885FLT3 832/4885RXFP1 4807/4885

“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.

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