SCHEMBL4072161

SCHEMBL4072161

COC(=O)CCSc1cnc2cc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 1/20 0.47
▸ CXCR2 P25025 1/20 0.47
▸ APP P05067 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PRNP P04156 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38

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
SCHEMBL4067846 0.83 NPC1 (0.49) CXCR1CXCR2APPALDH1A1MAPT
SCHEMBL4068869 0.78 SMN1; SMN2 (0.42) ALDH1A1MAPTPDGFRBPDGFRAL3MBTL1
SCHEMBL9072456 0.73 CXCR1 (0.45) CXCR1CXCR2MAPTPDGFRAL3MBTL1
SCHEMBL23167730 0.72 CXCR1 (0.42) CXCR1CXCR2APPALDH1A1MAPT
SCHEMBL14485982 0.70 CXCR1 (0.40) CXCR1CXCR2APPALDH1A1MAPT
SCHEMBL26549163 0.68 PDGFRB (0.61) PDGFRBPDGFRAPIK3CDPIK3CAMTOR
SCHEMBL26549437 0.68 PDGFRB (0.61) PDGFRBPDGFRAPIK3CDPIK3CAMTOR
SCHEMBL16488510 0.68 CXCR1 (0.38) CXCR1CXCR2APPALDH1A1MAPT
SCHEMBL12471098 0.68 RAB9A (0.57) CXCR1CXCR2ALDH1A1MAPTMAPK14
SCHEMBL8499905 0.67 PDGFRB (0.52) PDGFRBPDGFRATP53GRIN2BMAOB

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
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 — — US disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 — — EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 — — US disclosed
EP-1824817-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-08-29 — — EP disclosed
WO-2006059149-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-06-08 — — 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 (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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A CXCR1 4522/4885CXCR2 3798/4885APP 3944/4885

“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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