SCHEMBL3700645

SCHEMBL3700645

COc1cscc1CCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.43
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALOX5 P09917 5/20 0.34
PTGS2 P35354 4/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HMGCR P04035 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MPO P05164 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL3696016 0.88 PDE4A (0.36) TNKS2PDE4APDE4BPDE4CPDE4D
SCHEMBL9298398 0.82 ALOX5 (0.42) ALOX5PTGS2HMGCRHTR2APPARA
SCHEMBL3699161 0.81 GAA (0.32) ALOX5PTGS2GAAMAPTTSHR
SCHEMBL4240144 0.79
SCHEMBL721971 0.79 ALOX5 (0.50) ALOX5PTGS2HTR2APPARA
SCHEMBL9444539 0.79 ALOX5 (0.50) ALOX5PTGS2HTR2APPARA
SCHEMBL9640505 0.79 ALOX5 (0.50) ALOX5PTGS2HTR2APPARA
SCHEMBL19304408 0.79 ALOX5 (0.50) ALOX5PTGS2HTR2APPARA
SCHEMBL10044860 0.79 CA2 (0.32) POLB
SCHEMBL8516248 0.78 HMGCR (0.47) ALOX5PTGS2HMGCRHTR2AHTR2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9039936-B2 Thiophene derivative, method for producing same, and polymer of thiophene derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-05-26 US disclosed
US-9039936-B2 Thiophene derivative, method for producing same, and polymer of thiophene derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-05-26 US disclosed
US-9039936-B2 Thiophene derivative, method for producing same, and polymer of thiophene derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-05-26 US disclosed
EP-2457909-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE Tokyo Institute of Technology (JP) 2012-05-30 EP disclosed
US-20120119157-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE KURARAY CO., LTD. (JP) 2012-05-17 US disclosed
US-20120119157-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE KURARAY CO., LTD. (JP) 2012-05-17 US disclosed
US-20120119157-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE KURARAY CO., LTD. (JP) 2012-05-17 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 (1 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-20120119157-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE TST, WEE2, WEE1 TNKS2 1427/4885PDE4A 3957/4885PDE4B 3327/4885

“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.