SCHEMBL4070865

SCHEMBL4070865

COC(=O)c1ccccc1S(=O)(=O)c1ccc2nc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
PLA2G2A P14555 4/20 0.45
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
SLC6A2 P23975 1/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40

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
SCHEMBL4069732 0.89 HTR2A (0.43) HTR2AHTR2CCA9MMP1MMP2
SCHEMBL4066087 0.85 MMP2 (0.50) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL4487807 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL13713006 0.81 SLC6A4 (0.46) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL4073448 0.78 SLC6A4 (0.43) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL4071934 0.78 SMN1; SMN2 (0.52) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL3157210 0.76 HTR2A (0.58) SLC6A4SLC6A3HTR2AHTR2CCA9
SCHEMBL3157221 0.76 HTR2A (0.58) SLC6A4SLC6A3HTR2AHTR2CCA9
SCHEMBL3152195 0.73 HTR2A (0.75) HTR2AHTR2CCA9CA1CA2
SCHEMBL3159665 0.73 HTR2A (0.75) HTR2AHTR2CCA9CA1CA2

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-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US claimed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US claimed
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 SMN1; SMN2 200/4885NPC1 1772/4885CASP3 3062/4885

“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.