SCHEMBL1408602

SCHEMBL1408602

OCC(S)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.45
LMNA P02545 1/20 0.41
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GSR P00390 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
DPP4 P27487 2/20 0.38
TSHR P16473 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
SCHEMBL6401479 1.00 TRPA1 (0.45) TRPA1LMNAHTR2ATAAR1GSR
SCHEMBL19632871 1.00 TRPA1 (0.45) TRPA1LMNAHTR2ATAAR1GSR
SCHEMBL3203278 0.80 TRPA1 (0.48) TRPA1LMNAHTR2ATAAR1KDM4E
SCHEMBL13473250 0.79 LMNA (0.58) TRPA1LMNAHTR2ATAAR1
SCHEMBL879168 0.79 LMNA (0.58) TRPA1LMNAHTR2ATAAR1
SCHEMBL577036 0.79 LMNA (0.58) TRPA1LMNAHTR2ATAAR1
SCHEMBL8443421 0.78 HRH1 (0.46) HTR2ATAAR1DPP4TSHR
SCHEMBL10700271 0.78 HTR2A (0.43) LMNAHTR2ATAAR1DPP4TSHR
SCHEMBL11225849 0.77 ESR1 (0.44) LMNATAAR1KDM4ECYP2D6TSHR
SCHEMBL647478 0.76 HTR2A (0.42) HTR2ATAAR1DPP4TSHR

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225439-B1 FOR OPTICAL MATERIALS, SUCH AS PLASTIC LENSES, PRISMS, SUBSTRATES OF INFORMATION RECORDING MATERIALS AND FILTERS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-05-01 US claimed
EP-0760646-A1 COMBINED TWO-PART REDUCING AGENT/HUMECTANT SHAVING SYSTEM FOR IMPROVED SHAVING COMFORT THE GILLETTE COMPANY (US) 1997-03-12 EP claimed
WO-1995031960-A1 COMBINED TWO-PART REDUCING AGENT/HUMECTANT SHAVING SYSTEM FOR IMPROVED SHAVING COMFORT THE GILLETTE COMPANY (US) 1995-11-30 WO claimed
US-5011957-A Antimony mercaptide esters and methods of preparing the same PHILLIPS PETROLEUM COMPANY (US) 1991-04-30 US claimed
US-4987250-A Synthesis of hydroxy sulfonic acids UNION OIL COMPANY OF CALIFORNIA (US) 1991-01-22 US claimed
US-4923643-A Antimony mercaptide esters and methods of preparing the same PHILLIPS PETROLEUM COMPANY (US) 1990-05-08 US claimed
US-4910330-A Synthesis of sulfonic acids and carboxylic acid ester derivatives thereof UNION OIL COMPANY OF CALIFORNIA (US) 1990-03-20 US claimed
EP-0235783-A2 Hair waving agent Kao Corporation (JP) 1987-09-09 EP claimed
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-09-02 US disclosed
EP-4010076-B1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-17 EP disclosed
US-20230129765-A1 METHOD FOR PRODUCING POLYTHIOETHER COMPOUND DAICEL CORPORATION (JP) 2023-04-27 US disclosed
EP-4108705-A1 METHOD FOR PRODUCING POLYTHIOETHER COMPOUND Daicel Corporation (JP) 2022-12-28 EP disclosed
US-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-10-06 US disclosed
CN-115135697-A Process for producing polythioether compound 株式会社大赛璐 2022-09-30 CN disclosed
US-4987250-A Synthesis of hydroxy sulfonic acids UNION OIL COMPANY OF CALIFORNIA (US) 1991-01-22 US disclosed
US-4923643-A Antimony mercaptide esters and methods of preparing the same PHILLIPS PETROLEUM COMPANY (US) 1990-05-08 US disclosed
US-4910330-A Synthesis of sulfonic acids and carboxylic acid ester derivatives thereof UNION OIL COMPANY OF CALIFORNIA (US) 1990-03-20 US disclosed
EP-0235783-A2 Hair waving agent Kao Corporation (JP) 1987-09-09 EP disclosed
EP-0235783-A2 Hair waving agent Kao Corporation (JP) 1987-09-09 EP disclosed
US-4322214-A USING A SULFUR OR SULFURIZED VAT DYE IN AN ALKALINE BATH CONTAINING A MERCAPTO COMPOUND AND A SULFITE SALT; LEVELING ASAHI CHEMICAL COMPANY LIMITED (JP) 1982-03-30 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 (2 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-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 TRPA1 2817/4885LMNA 1963/4885HTR2A 557/4885
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 TRPA1 2817/4885LMNA 1963/4885HTR2A 557/4885

“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.