Sugi Predict

Sugi Predict / Compounds / SCHEMBL336507

SCHEMBL336507

SCHEMBL336507

CCCCCCCCCCCCc1ccsc1-c1cc2c(CCCCCCCCCCCC)c3sc(-c4sccc4CCCCCCCCCCCC)cc3c(CCCCCCCCCCCC)c2s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 6/20 0.40
▸ TYR P14679 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.32
▸ CYSLTR2 Q9NS75 2/20 0.30
▸ CYSLTR1 Q9Y271 2/20 0.30
▸ SRC P12931 1/20 0.30
▸ HCAR2 Q8TDS4 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
SCHEMBL994650 1.00 GPR35 (0.40) GPR35TYRMEN1TP53CYP3A4
SCHEMBL16328112 0.89 GPR35 (0.34) GPR35
SCHEMBL13356230 0.89 GPR35 (0.34) GPR35
SCHEMBL994046 0.88 GPR35 (0.41) GPR35SRC
SCHEMBL13356329 0.86 GPR35 (0.35) GPR35
SCHEMBL12194781 0.83 ALOX5 (0.39) GPR35TYRMEN1TP53CYP3A4
SCHEMBL14217344 0.83 GPR35 (0.34) GPR35TYRMEN1TP53CYP3A4
SCHEMBL13324137 0.82 GPR35 (0.32) GPR35
SCHEMBL12729216 0.82 GPR35 (0.37) GPR35TYRMEN1TP53CYP3A4
SCHEMBL13872964 0.82 GPR35 (0.46) GPR35TYRMEN1TP53CYP3A4

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-8097735-B2 Methods for preparing benzodithiophenes XEROX CORPORATION (US) 2012-01-17 — — US disclosed
US-20110224402-A1 METHODS FOR PREPARING BENZODITHIOPHENES XEROX CORPORATION (US) 2011-09-15 — — US disclosed
US-7956199-B2 Methods for preparing benzodithiophenes XEROX CORPORATION (US) 2011-06-07 — — US disclosed
US-20110086994-A1 METHODS FOR PREPARING BENZODITHIOPHENES XEROX CORPORATION (US) 2011-04-14 — — US disclosed
US-20100121004-A1 PURIFICATION PROCESS FOR SEMICONDUCTING MONOMERS XEROX CORPORATION (US) 2010-05-13 — — US disclosed
US-20100121004-A1 PURIFICATION PROCESS FOR SEMICONDUCTING MONOMERS XEROX CORPORATION (US) 2010-05-13 — — US disclosed
US-20090242878-A1 OPTIMIZATION OF NEW POLYMER SEMICONDUCTORS FOR BETTER MOBILITY AND PROCESSIBALITY XEROX CORPORATION (US) 2009-10-01 — — 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 (3 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-20110086994-A1 METHODS FOR PREPARING BENZODITHIOPHENES TST, TPST2, MPST GPR35 4350/4885TYR 5/4885MEN1 3303/4885
US-20110224402-A1 METHODS FOR PREPARING BENZODITHIOPHENES TST, TPST2, MPST GPR35 4350/4885TYR 5/4885MEN1 3303/4885
US-20100121004-A1 PURIFICATION PROCESS FOR SEMICONDUCTING MONOMERS TERT, ADH1A, PCNA GPR35 3230/4885TYR 2183/4885MEN1 2060/4885

“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.