SCHEMBL795416

SCHEMBL795416

O=S(=O)(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.46
CA12 O43570 2/20 0.46
ENPP3 O14638 5/20 0.39
ENPP2 Q13822 2/20 0.39
MMP1 P03956 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
ESRRG P62508 1/20 0.34
STS P08842 4/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
POLB P06746 1/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL8398048 0.85 ENPP1 (0.50) ENPP1CA12ENPP3ENPP2MMP1
SCHEMBL8398080 0.84 ENPP1 (0.48) ENPP1CA12ENPP3ENPP2MMP1
SCHEMBL7164631 0.81 ALDH1A1 (0.37) ENPP1CA12MMP1MMP8MMP13
SCHEMBL7904552 0.77 ALDH1A1 (0.41) MMP1MMP8MMP13POLBKDM4E
SCHEMBL794908 0.76 MMP8 (0.43) MMP1MMP8MMP13KDM4EMEN1
SCHEMBL4068960 0.76 CA1 (0.50) ENPP1CA12MMP1MMP8MMP13
SCHEMBL28986654 0.76 ENPP1 (0.51) ENPP1CA12ENPP3ENPP2MMP13
SCHEMBL30584645 0.75 CA2 (0.43) CA12STSCA1CA2CA9
SCHEMBL246014 0.72 HRH1 (0.46) ALDH1A1
SCHEMBL12454112 0.72 CA2 (0.41) ENPP1CA12ENPP3MMP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10509314-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-12-17 US disclosed
US-20170108774-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-20 US disclosed
US-20170108774-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-20 US disclosed
US-8632945-B2 Radiation-sensitive resin composition, monomer, polymer, and production method of radiation-sensitive resin composition JSR CORPORATION (JP) 2014-01-21 US disclosed
US-20120237876-A1 RADIATION-SENSITIVE RESIN COMPOSITION, MONOMER, POLYMER, AND PRODUCTION METHOD OF RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2012-09-20 US disclosed
US-20120070783-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND METHOD FOR FORMING RESIST PATTERN JSR CORPORATION (JP) 2012-03-22 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-10509314-B2 Resist composition and patterning process SRMS, SLC11A2, PCNA ENPP1 3452/4885CA12 1860/4885ENPP3 3400/4885
US-20120237876-A1 RADIATION-SENSITIVE RESIN COMPOSITION, MONOMER, POLYMER, AND PRODUCTION METHOD OF RADIATION-SENSITIVE RESIN COMPOSITION RAD51, RAD54L, MRE11 ENPP1 3745/4885CA12 4274/4885ENPP3 4124/4885

“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.