SCHEMBL3914072

SCHEMBL3914072

C=CCn1c(SCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCCC3

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.77
▸ SMN1; SMN2 Q16637 6/20 0.70
▸ LMNA P02545 2/20 0.70
▸ POLB P06746 1/20 0.70
▸ TSHR P16473 6/20 0.63
▸ MAPK1 P28482 4/20 0.63
▸ ALDH1A1 P00352 6/20 0.62
▸ NPSR1 Q6W5P4 4/20 0.62
▸ HPGD P15428 2/20 0.62
▸ MAPT P10636 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.60
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ BACE1 P56817 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ KMT2A Q03164 1/20 0.59
▸ PKM P14618 1/20 0.57

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
SCHEMBL19079843 0.89 PDE4D (0.87) PDE4DSMN1; SMN2LMNAPOLBTSHR
SCHEMBL17597465 0.87 PDE4D (1.00) PDE4DSMN1; SMN2LMNAPOLBTSHR
SCHEMBL19079837 0.87 PDE4D (0.81) PDE4DSMN1; SMN2LMNAPOLBTSHR
SCHEMBL19079690 0.87 PDE4D (1.00) PDE4DSMN1; SMN2LMNAPOLBTSHR
SCHEMBL19079669 0.87 SMN1; SMN2 (0.76) PDE4DSMN1; SMN2LMNATSHRMAPK1
SCHEMBL19079720 0.86 PDE4D (0.77) PDE4DSMN1; SMN2LMNAPOLBTSHR
SCHEMBL19079833 0.86 PDE4D (0.80) PDE4DSMN1; SMN2LMNAPOLBTSHR
SCHEMBL19079838 0.86 PDE4D (0.77) PDE4DSMN1; SMN2LMNAPOLBTSHR
SCHEMBL19079701 0.86 SMN1; SMN2 (0.65) PDE4DSMN1; SMN2LMNATSHRMAPK1
SCHEMBL19079834 0.85 PDE4D (0.79) PDE4DSMN1; SMN2LMNAPOLBTSHR

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 11 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
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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 — — US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — US disclosed
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 (5 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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885SMN1; SMN2 4025/4885LMNA 3846/4885
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM PDE4D 1628/4885SMN1; SMN2 4741/4885LMNA 3177/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885SMN1; SMN2 4025/4885LMNA 3846/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 PDE4D 1848/4885SMN1; SMN2 4706/4885LMNA 2980/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B PDE4D 2831/4885SMN1; SMN2 4693/4885LMNA 4758/4885

“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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