Sugi Predict

Sugi Predict / Compounds / SCHEMBL1702948

SCHEMBL1702948

SCHEMBL1702948

CCCCOc1ccc([S+](c2ccc(OCCCC)cc2)c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.55
▸ NR5A1 Q13285 1/20 0.53
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ TSHR P16473 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
Hydrochloric Acid SCHEMBL8969020 0.92 NR5A1 (0.61) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL3212615 0.92 LTA4H (0.63) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL425903 0.92 LTA4H (0.63) LTA4HNR5A1CYP3A4CYP2D6TSHR
Iodide SCHEMBL6924529 0.90 LTA4H (0.61) LTA4HNR5A1CYP3A4CYP2D6TSHR
Bromide SCHEMBL3130299 0.90 LTA4H (0.61) LTA4HNR5A1CYP3A4CYP2D6TSHR
SCHEMBL2437395 0.87 LTA4H (0.64) LTA4HNR5A1CYP3A4TSHRTP53
SCHEMBL4619678 0.87 NR5A1 (0.56) LTA4HNR5A1TSHRGAARAB9A
SCHEMBL482308 0.87 LTA4H (0.64) LTA4HNR5A1CYP3A4TSHRTP53
SCHEMBL3407783 0.87 NR5A1 (0.56) LTA4HNR5A1TSHRGAARAB9A
SCHEMBL4619331 0.87 NR5A1 (0.56) LTA4HNR5A1TSHRGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180011401-A1 SULFONIC ACID DERIVATIVE, PHOTOACID GENERATOR USING SAME, RESIST COMPOSITION, AND DEVICE MANUFACTURING METHOD TOYO GOSEI CO., LTD. (JP) 2018-01-11 — — US disclosed
US-9714217-B2 Sulfonic acid derivative and photoacid generator TOYO GOSEI CO., LTD. (JP) 2017-07-25 — — US disclosed
US-8652752-B2 Sulphonium salt initiators BASF SE (DE) 2014-02-18 — — US disclosed
US-20130130175-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method CENTRAL GLASS COMPANY, LIMITED (JP) 2013-05-23 — — US disclosed
US-8435717-B2 Compound for photoacid generator, resist composition using the same, and pattern-forming method CENTRAL GLASS COMPANY, LIMITED (JP) 2013-05-07 — — US disclosed
EP-2197869-B1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2013-04-24 — — EP disclosed
US-20120289738-A1 SULFONIC ACID DERIVATIVE AND PHOTOACID GENERATOR TOYO GOSEI CO., LTD. (JP) 2012-11-15 — — US disclosed
EP-2125713-B1 SULPHONIUM SALT PHOTOINITIATORS BASF SE (DE) 2012-04-18 — — EP disclosed
US-8012672-B2 Sulphonium salt photoinitiators BASF SE (DE) 2011-09-06 — — US disclosed
US-20100297541-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-11-25 — — US disclosed
EP-2197839-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-06-23 — — EP disclosed
EP-2197869-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-06-23 — — EP disclosed
US-20100087563-A1 SULPHONIUM SALT PHOTOINITIATORS BASF SE (DE) 2010-04-08 — — US disclosed
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method CENTRAL GLASS COMPANY, LTD. (JP) 2010-02-11 — — US disclosed
EP-2125713-A1 SULPHONIUM SALT PHOTOINITIATORS Ciba SC Holding AG (CH) 2009-12-02 — — EP disclosed
WO-2009047152-A1 SULPHONIUM SALT INITIATORS BASF SE (CH) 2009-04-16 — — WO disclosed
WO-2009047105-A1 SULPHONIUM SALT INITIATORS BASF SE (CH) 2009-04-16 — — WO disclosed
US-7414148-B2 Process for producing alkoxycarbonylfluoroalkanesulfonates CENTRAL GLASS COMPANY LIMITED (JP) 2008-08-19 — — US disclosed
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-08 — — US disclosed
WO-2008040648-A1 SULPHONIUM SALT PHOTOINITIATORS CIBA HOLDING INC. (CH) 2008-04-10 — — 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 (7 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-20180011401-A1 SULFONIC ACID DERIVATIVE, PHOTOACID GENERATOR USING SAME, RESIST COMPOSITION, AND DEVICE MANUFACTURING METHOD ASIC1, ASIC3, CRY1 LTA4H 2800/4885NR5A1 1777/4885CYP3A4 1571/4885
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES ARSA, PFAS, MPST LTA4H 1470/4885NR5A1 2516/4885CYP3A4 649/4885
US-20100035185-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR LTA4H 4272/4885NR5A1 1309/4885CYP3A4 3517/4885
US-20100087563-A1 SULPHONIUM SALT PHOTOINITIATORS SULT1A1, NCOR1, ARSA LTA4H 908/4885NR5A1 184/4885CYP3A4 2522/4885
US-20120289738-A1 SULFONIC ACID DERIVATIVE AND PHOTOACID GENERATOR CRY1, ASIC1, ASIC3 LTA4H 3327/4885NR5A1 2156/4885CYP3A4 1161/4885
US-20130130175-A1 Compound for Photoacid Generator, Resist Composition Using the Same, and Pattern-Forming Method ASIC1, RER1, INSRR LTA4H 4311/4885NR5A1 1668/4885CYP3A4 3858/4885
US-20100297541-A1 SULPHONIUM SALT INITIATORS NCOR1, NCOR2, SMARCC2 LTA4H 2409/4885NR5A1 379/4885CYP3A4 3645/4885

“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.