SCHEMBL2689599

SCHEMBL2689599

CCCCCCc1cc(CO)c(CO)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPT P10636 1/20 0.41
TYR P14679 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 3/20 0.38
GPR35 Q9HC97 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
TNNC1 P63316 5/20 0.35
SGPL1 O95470 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35

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
SCHEMBL2689105 1.00 ALOX15 (0.41) ALOX15CYP3A4MEN1TP53ALOX5
SCHEMBL14099994 0.86 ALOX5 (0.45) ALOX15CYP3A4MEN1TP53ALOX5
SCHEMBL28241466 0.81 GPR35 (0.38) ALOX15CYP3A4MEN1TP53ALOX5
SCHEMBL6050795 0.77 ALOX5 (0.42) ALOX15CYP3A4MEN1TP53ALOX5
SCHEMBL2691198 0.76 ALOX15 (0.38) ALOX15CYP3A4MEN1TP53ALOX5
SCHEMBL2688868 0.76 ALOX15 (0.38) ALOX15CYP3A4MEN1TP53ALOX5
SCHEMBL19927819 0.73 ALOX5 (0.41) ALOX15CYP3A4MEN1TP53ALOX5
SCHEMBL16405011 0.73 ALOX5 (0.41) ALOX15CYP3A4MEN1TP53ALOX5
SCHEMBL12925772 0.71 PTGS2 (0.42) CYP3A4TP53PTGS2GPR35
SCHEMBL12279693 0.71 ESR1 (0.42) CYP3A4TP53PTGS2TNNC1SGPL1

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 ALOX15 1394/4885CYP3A4 30/4885MEN1 3801/4885

“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.