SCHEMBL4547874

SCHEMBL4547874

Cc1cc(CO)c(CO)s1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.33
SHBG P04278 1/20 0.33
TSHR P16473 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10359892 0.78 TAAR1 (0.38) LTB4RTSHR
SCHEMBL8545497 0.78
SCHEMBL14400685 0.76 HSP90AB1 (0.40) LTB4RTSHR
SCHEMBL17398173 0.74
SCHEMBL12847430 0.74
SCHEMBL14400624 0.70 PKM (0.46) LTB4RTSHRPOLBTDP1
SCHEMBL9769293 0.68 TSHR (0.34) LTB4RTSHR
SCHEMBL4547878 0.67 LTB4R (0.31) LTB4RTSHR
SCHEMBL12622691 0.67 LTB4R (0.30) LTB4RTSHR
SCHEMBL14496454 0.67 LTB4R (0.30) LTB4RTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168671-B2 Synthesis of thieno[3,4-b]thiophene, thieno[3,4-b]furan, related compounds and their derivatives and use thereof THE UNIVERSITY OF CONNECTICUT (US) 2012-05-01 US disclosed
US-20090326187-A1 SYNTHESIS OF THIENO[3,4-b]THIOPHENE, THIENO[3,4-b]FURAN, RELATED COMPOUNDS AND THEIR DERIVATIVES AND USE THEREOF THE UNIVERSITY OF CONNECTICUT 2009-12-31 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-20090326187-A1 SYNTHESIS OF THIENO[3,4-b]THIOPHENE, THIENO[3,4-b]FURAN, RELATED COMPOUNDS AND THEIR DERIVATIVES AND USE THEREOF TENT4B, TERB1, CYP4B1 LTB4R 32/4885SHBG 1695/4885TSHR 545/4885

“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.