SCHEMBL3914163

SCHEMBL3914163

C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCCC3

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.77
▸ SMN1; SMN2 Q16637 5/20 0.77
▸ MAPT P10636 4/20 0.77
▸ KDM4E B2RXH2 4/20 0.77
▸ RECQL P46063 2/20 0.77
▸ HPGD P15428 1/20 0.77
▸ NR4A1 P22736 1/20 0.77
▸ MAPK1 P28482 3/20 0.75
▸ POLB P06746 3/20 0.75
▸ KMT2A Q03164 2/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ MEN1 O00255 1/20 0.75
▸ CYP1A2 P05177 1/20 0.75
▸ CYP2C9 P11712 1/20 0.75
▸ CYP2C19 P33261 1/20 0.75
▸ HSD17B10 Q99714 1/20 0.75
▸ L3MBTL1 Q9Y468 1/20 0.75
▸ TSHR P16473 4/20 0.69
▸ THRB P10828 1/20 0.66
▸ CA1 P00915 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
SCHEMBL19079782 0.88 TSHR (0.73) ALDH1A1SMN1; SMN2MAPTKDM4ERECQL
SCHEMBL13856751 0.87 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTKDM4ERECQL
SCHEMBL19079821 0.85 TSHR (0.67) ALDH1A1SMN1; SMN2MAPTKDM4ERECQL
SCHEMBL19079781 0.84 MAPT (0.79) ALDH1A1SMN1; SMN2MAPTKDM4ERECQL
SCHEMBL19079697 0.83 TSHR (0.81) ALDH1A1SMN1; SMN2MAPTKDM4ERECQL
SCHEMBL19079780 0.83 RXFP1 (0.67) ALDH1A1SMN1; SMN2MAPTKDM4EMAPK1
SCHEMBL1101912 0.82 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTKDM4EMAPK1
SCHEMBL19079669 0.82 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2MAPTKDM4EMAPK1
SCHEMBL19079672 0.81 TSHR (1.00) ALDH1A1SMN1; SMN2MAPTKDM4ERECQL
SCHEMBL19079701 0.81 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2MAPTKDM4EMAPK1

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 8 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
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 (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 4718/4885SMN1; SMN2 4741/4885MAPT 3062/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 ALDH1A1 4655/4885SMN1; SMN2 4706/4885MAPT 2046/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B ALDH1A1 4146/4885SMN1; SMN2 4693/4885MAPT 2119/4885

“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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