SCHEMBL3240288

SCHEMBL3240288

O=S(=O)(c1ccc(F)cc1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.49
HTR2C P28335 4/20 0.49
KCNH2 Q12809 4/20 0.49
CXCR2 P25025 1/20 0.46
TRPA1 O75762 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
DRD2 P14416 3/20 0.42
MMP1 P03956 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
PTGS2 P35354 3/20 0.41
MMP2 P08253 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP9 P14780 1/20 0.41
PTGS1 P23219 2/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL643581 0.96 HTR2A (0.49) HTR2AHTR2CKCNH2CXCR2TRPA1
SCHEMBL644453 0.91 HTR2A (0.51) HTR2AHTR2CKCNH2TRPA1DRD2
Formic Acid SCHEMBL28110710 0.87 HTR2A (0.44) HTR2AHTR2CKCNH2CXCR2TRPA1
SCHEMBL28057775 0.82 HTR2A (0.46) HTR2AHTR2CKCNH2CXCR2TRPA1
SCHEMBL28343860 0.82 HTR2A (0.46) HTR2AHTR2CKCNH2TRPA1DRD2
SCHEMBL5212828 0.82 CYP11B1 (0.49) HTR2AHTR2CKCNH2DRD2PTGS2
Hydrochloric Acid SCHEMBL4095644 0.81 CYP11B1 (0.48) HTR2AHTR2CKCNH2DRD2PTGS2
SCHEMBL10799201 0.81 APLNR (0.47) HTR2AHTR2CKCNH2CXCR2TRPA1
Hydrochloric Acid SCHEMBL10800269 0.79 APLNR (0.46) HTR2AHTR2CKCNH2CXCR2TRPA1
SCHEMBL2148808 0.79 TSHR (0.48) KMT2AMEN1PIK3C3MMP1MMP8

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-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 US disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 HTR2A 672/4885HTR2C 1155/4885KCNH2 811/4885

“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.