SCHEMBL3774900

SCHEMBL3774900

CCCCCCCCCCCCc1cc(-c2cc3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc6ccccc6c5)s4)cc3s2)sc1-c1ccc2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.36
▸ MAOA P21397 3/20 0.36
▸ LIPG Q9Y5X9 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ CETP P11597 1/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL3780304 0.91 ESR1 (0.37) TLR8MAOALIPGMAOBCETP
SCHEMBL3787116 0.85 LIPG (0.40) LIPGMAPTSMN1; SMN2DHFRMEN1
SCHEMBL5575415 0.85 TLR8 (0.36) TLR8MAOALIPGMAOBCETP
SCHEMBL4356751 0.82 TLR8 (0.38) TLR8MAOALIPGMAOBCETP
SCHEMBL3785091 0.79 LTB4R (0.41) LIPGMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13142470 0.78 TLR8 (0.34) TLR8MAOALIPGMAOBMAPT
SCHEMBL3780924 0.78 TLR8 (0.35) TLR8MAOALIPGMAOBCETP
SCHEMBL12921568 0.77 MAPT (0.34) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL12921564 0.77 MAPT (0.34) MAPTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL21243813 0.76 LTB4R (0.44) LIPGMAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331550-A1 THIENOTHIOPHENE DERIVATIVES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-12-30 — — US claimed
US-8329915-B2 Thienothiophene derivatives NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-12-11 — — US disclosed
US-20100331550-A1 THIENOTHIOPHENE DERIVATIVES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-12-30 — — 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-20100331550-A1 THIENOTHIOPHENE DERIVATIVES TST, TPST2, TH TLR8 2849/4885MAOA 574/4885LIPG 4767/4885

“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.

Send feedback