SCHEMBL3021081

SCHEMBL3021081

CCCCCC([S])c1ncc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYSLTR2 Q9NS75 2/20 0.41
▸ CYSLTR1 Q9Y271 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL30402217 0.87 GPBAR1 (0.42) GPBAR1MAPK1CYSLTR2CYSLTR1TP53
SCHEMBL30746985 0.82 GPBAR1 (0.41) GPBAR1MAPK1CYSLTR2CYSLTR1TP53
SCHEMBL30543203 0.81 TLR8 (0.41) GPBAR1MAPK1CYSLTR2CYSLTR1TP53
SCHEMBL30402892 0.81 TLR8 (0.41) GPBAR1MAPK1CYSLTR2CYSLTR1TP53
Hydrochloric Acid SCHEMBL30543224 0.81 GPBAR1 (0.40) GPBAR1MAPK1CYSLTR2CYSLTR1TP53
SCHEMBL30746954 0.81 TLR8 (0.41) GPBAR1MAPK1CYSLTR2CYSLTR1TP53
SCHEMBL6001791 0.79 GPBAR1 (0.45) GPBAR1MAPK1CYSLTR2CYSLTR1TP53
SCHEMBL26479716 0.78 CYP1A2 (0.40) GPBAR1CYSLTR2CYSLTR1CYP1A2TLR8
SCHEMBL8218133 0.78 TLR8 (0.38) GPBAR1MAPK1CYSLTR2CYSLTR1TP53
SCHEMBL5062496 0.71 XDH (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 — — EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 — — US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 — — US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 — — EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 — — WO 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 (2 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA GPBAR1 19/4885MAPK1 2550/4885CYSLTR2 565/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 GPBAR1 27/4885MAPK1 472/4885CYSLTR2 1776/4885

“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.

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