SCHEMBL4454876

SCHEMBL4454876

O=S(=O)(c1ccccc1)N(c1ccccc1)c1nnc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
ESR1 P03372 2/20 0.46
ALDH1A1 P00352 5/20 0.40
APOBEC3G Q9HC16 1/20 0.38
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.34
NR1I2 O75469 1/20 0.34
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4035442 0.88 GAA (0.38) PKMESR1ALDH1A1KMT2A
SCHEMBL812682 0.75 PKM (0.79) PKMESR1ALDH1A1APOBEC3GHDAC6
SCHEMBL1101233 0.70 PKM (0.50) PKMESR1ALDH1A1APOBEC3GKMT2A
SCHEMBL17674183 0.69 EGFR (0.41) KMT2AMEN1
SCHEMBL20985600 0.69 TAAR1 (0.39) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL14058258 0.68 PKM (0.51) PKMESR1ALDH1A1APOBEC3GKMT2A
SCHEMBL8656925 0.66 PKM (0.63) PKMESR1ALDH1A1APOBEC3GKMT2A
SCHEMBL28634601 0.66 ALDH1A1 (0.66) PKMESR1ALDH1A1KMT2ACA12
SCHEMBL3828857 0.66 ALDH1A1 (0.80) PKMESR1ALDH1A1APOBEC3GKMT2A
SCHEMBL20985530 0.66 ALDH1A1 (0.30) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240084136-A1 PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, AND OPTICAL MATERIAL CONTAINING SAID CURED PRODUCT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-14 US claimed
EP-4282903-A1 PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, AND OPTICAL MATERIAL CONTAINING SAID CURED PRODUCT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-29 EP claimed
CN-116829989-A Photocurable composition, cured product thereof, and optical material containing the cured product 三菱瓦斯化学株式会社 2023-09-29 CN claimed
WO-2022158324-A1 PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, AND OPTICAL MATERIAL CONTAINING SAID CURED PRODUCT 三菱瓦斯化学株式会社 2022-07-28 WO claimed
EP-3312216-B1 COMPOSITION FOR OPTICAL MATERIAL AND OPTICAL MATERIAL USING THE SAME MITSUBISHI GAS CHEMICAL CO (JP) 2020-11-11 EP claimed
US-10508173-B2 Composition for optical material and optical material using the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-12-17 US claimed
US-20180265638-A1 PHOTOCURABLE COMPOSITION AND OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-09-20 US claimed
US-20180127549-A1 COMPOSITION FOR OPTICAL MATERIAL AND OPTICAL MATERIAL USING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-05-10 US claimed
EP-3312216-A1 COMPOSITION FOR OPTICAL MATERIAL AND OPTICAL MATERIAL USING THE SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2018-04-25 EP claimed
US-12552902-B2 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2026-02-17 US disclosed
WO-2025033334-A1 OPTICAL MATERIAL COMPOSITION AND OPTICAL MATERIAL USING SAME 三菱瓦斯化学株式会社 2025-02-13 WO disclosed
CN-115667369-B Composition for optical material 三菱瓦斯化学株式会社 2024-04-05 CN disclosed
US-20240084136-A1 PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, AND OPTICAL MATERIAL CONTAINING SAID CURED PRODUCT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-14 US disclosed
EP-4282903-A1 PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, AND OPTICAL MATERIAL CONTAINING SAID CURED PRODUCT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-29 EP disclosed
EP-2762225-A1 POLYMERIZABLE INORGANIC PARTICLE-DISPERSING AGENT, INORGANIC/ORGANIC COMPOSITE PARTICLES CONTAINING SAID POLYMERIZABLE INORGANIC PARTICLE-DISPERSING AGENT, AND INORGANIC/ORGANIC RESIN COMPOSITE Nippon Kasei Chemical Company Limited (JP) 2014-08-06 EP disclosed
US-20140213725-A1 POLYMERIZABLE INORGANIC-PARTICLE DISPERSANT, INORGANIC-ORGANIC COMPOSITE PARTICLES CONTAINING SAID POLYMERIZABLE INORGANIC-PARTICLE DISPERSANT, AND INORGANIC-ORGANIC RESIN COMPOSITE MATERIAL NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2014-07-31 US disclosed
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 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 (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-12552902-B2 Composition for optical material PAX2, RPL21, PAXBP1 PKM 1546/4885ESR1 1171/4885ALDH1A1 1088/4885
US-10508173-B2 Composition for optical material and optical material using the same RPL21, RPS21, RPL41 PKM 3381/4885ESR1 480/4885ALDH1A1 918/4885
US-20180127549-A1 COMPOSITION FOR OPTICAL MATERIAL AND OPTICAL MATERIAL USING THE SAME RPL21, RPS21, RPL41 PKM 3381/4885ESR1 480/4885ALDH1A1 918/4885

“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.