SCHEMBL708309

SCHEMBL708309

O=S(=O)(c1ccccc1)c1ccccc1CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.52
MMP2 P08253 6/20 0.51
MMP12 P39900 6/20 0.51
MMP13 P45452 6/20 0.51
MMP14 P50281 6/20 0.51
MMP9 P14780 5/20 0.51
MMP8 P22894 5/20 0.51
MMP16 P51512 5/20 0.51
MMP1 P03956 4/20 0.51
MMP3 P08254 4/20 0.51
KMT2A Q03164 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
CYP2D6 P10635 1/20 0.43
HSD11B1 P28845 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL3535459 0.87 GAA (0.44) HTR6MMP2MMP12MMP13MMP14
SCHEMBL15207221 0.87 ALDH1A1 (0.52) MMP2MMP12MMP13MMP14MMP9
SCHEMBL8761231 0.83 HTR6 (0.55) HTR6MMP2MMP12MMP13MMP14
SCHEMBL10181290 0.82 HSD11B1 (0.59) HTR6MMP2MMP12MMP13MMP14
SCHEMBL27733563 0.81 HSD11B1 (0.55) HTR6MMP2MMP12MMP13MMP14
SCHEMBL4613268 0.80 HTR6 (0.57) HTR6MMP2MMP12MMP13MMP14
SCHEMBL710752 0.80 CYP2D6 (0.62) HTR6MMP2MMP12MMP13MMP14
SCHEMBL8511247 0.80 HTR6 (0.52) HTR6MMP2MMP12MMP13MMP14
(Phenylsulfonyl)Benzene SCHEMBL9541906 0.78 HTR6 (0.55) HTR6MMP2MMP12MMP13MMP14
Hydrochloric Acid SCHEMBL1019802 0.78 HTR6 (0.55) HTR6MMP2MMP12MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10836734-B2 Spiroquinone derivative compound, production method thereof, and pharamaceutical composition for preventing or treating neurological disorders which contains same as active ingredient GACHON UNIVERSITY OF INDUSTRY—ACADEMIC COOPERATION FOUNDATION (KR) 2020-11-17 US disclosed
EP-3395804-B1 NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT UNIV GACHON IND ACAD COOP FOUND (KR) 2020-05-13 EP disclosed
US-20180327370-A1 NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARAMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-11-15 US disclosed
EP-3395804-A1 NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT Gachon University of Industry-Academic Cooperation Foundation (KR) 2018-10-31 EP disclosed
CN-108699013-A Novel spiroquinone derivative compound, method for preparing same, and pharmaceutical composition for preventing or treating neurological disorders containing same as active ingredient 嘉泉大学校校产学协力团 2018-10-23 CN disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8124629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
CN-102216249-A Naphthylacetic acids HOFFMANN LA ROCHE 2011-10-12 CN disclosed
EP-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
US-20100137250-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-06-03 US disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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 (3 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-20100137250-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 HTR6 771/4885MMP2 2689/4885MMP12 3416/4885
US-10836734-B2 Spiroquinone derivative compound, production method thereof, and pharamaceutical composition for preventing or treating neurological disorders which contains same as active ingredient NQO1, SDHA, SDHB HTR6 1925/4885MMP2 3507/4885MMP12 4106/4885
US-20180327370-A1 NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARAMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT NQO1, SDHA, KEAP1 HTR6 1840/4885MMP2 3346/4885MMP12 3743/4885

“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.