SCHEMBL4068694

SCHEMBL4068694

O=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1ccccc1Cn1cncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP3 P08254 2/20 0.45
MMP9 P14780 2/20 0.45
MMP12 P39900 2/20 0.45
MMP13 P45452 2/20 0.45
MMP14 P50281 2/20 0.45
CYP19A1 P11511 10/20 0.41
STS P08842 2/20 0.41
CYP2D6 P10635 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
PIK3CA P42336 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDO2 P48775 1/20 0.36
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
CCR4 P51679 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL4075239 0.76 MMP2 (0.55) MMP1MMP2MMP3MMP9MMP12
SCHEMBL5264611 0.76 MMP2 (0.52) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4075567 0.73 HTR2A (0.50) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4069804 0.72 MAOA (0.40) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4073428 0.71 PTGS2 (0.48) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4069576 0.71 HSD11B1 (0.46) MMP1MMP2MMP3MMP9MMP12
SCHEMBL10364808 0.70 CYP19A1 (0.50) CYP19A1STSCCR1CCR2CCR4
SCHEMBL4070632 0.69 MMP1 (0.43) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4076387 0.69 CA2 (0.50) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4071275 0.69 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP12

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 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

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 MMP1 3290/4885MMP2 2787/4885MMP3 2880/4885

“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.