Sugi Predict

Sugi Predict / Compounds / SCHEMBL2828908

SCHEMBL2828908

SCHEMBL2828908

O=S(=O)(/C=C/C(F)(F)F)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NFE2L2 Q16236 6/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA3 P07451 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
SCHEMBL571864 1.00 TLR9 (0.59) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL571865 1.00 TLR9 (0.59) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2787588 0.84 TLR9 (0.80) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1344341 0.84 TLR9 (0.80) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1344338 0.84 TLR9 (0.80) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL777365 0.80 TLR9 (0.67) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL777364 0.80 TLR9 (0.67) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL38660117 0.80 TLR9 (0.55) TLR9ALDH1A1NFE2L2EGFRTSHR
SCHEMBL11845104 0.80 TLR9 (0.45) TLR9ALDH1A1CYP2C9NFE2L2HTR6
SCHEMBL7932074 0.80 TLR9 (0.73) TLR9ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132219-B2 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE INC. (US) 2006-11-07 — — US claimed
US-20030219541-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-11-27 — — US claimed
US-20030064608-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition SABNIS RAM W (US) 2003-04-03 — — US claimed
US-20030054117-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-03-20 — — US claimed
US-RE47786-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES L.C. (US) 2019-12-31 — — US disclosed
US-RE46724-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2018-02-20 — — US disclosed
US-RE46724-E1 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2018-02-20 — — US disclosed
EP-2429986-B1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LAB LC (US) 2016-11-16 — — EP disclosed
EP-3078377-A2 NITAZOXANIDE AND TIZOXANIDE AS ANTI-VIRAL AGENTS Romark Laboratories, L.C. (US) 2016-10-12 — — EP disclosed
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES, L.C. (US) 2014-11-20 — — US disclosed
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS ROMARK LABORATORIES, L.C. (US) 2014-11-20 — — US disclosed
US-8846727-B2 Haloalkyl heteroaryl benzamide compounds ROMARK LABORATORIES, L.C. (US) 2014-09-30 — — US disclosed
US-20060167009-A1 Monocyclic substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 — — US disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 — — WO disclosed
US-20050182112-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-08-18 — — US disclosed
EP-1480975-A2 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2004-12-01 — — EP disclosed
US-20030219541-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-11-27 — — US disclosed
WO-2003072576-A2 OXAZOLIDINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-09-04 — — WO disclosed
US-20030064608-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition SABNIS RAM W (US) 2003-04-03 — — US disclosed
US-20030054117-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-03-20 — — 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-20050182112-A1 Chemical compounds CYP8B1, H1-0, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TLR9 4492/4885ALDH1A1 710/4885CYP1A2 82/4885
US-20060167009-A1 Monocyclic substituted phenyl methanones SLC1A2, SULT2A1, SLC6A5 TLR9 3081/4885ALDH1A1 744/4885CYP1A2 242/4885
US-20140341850-A1 HALOALKYL HETEROARYL BENZAMIDE COMPOUNDS HDHD5, HAVCR2, AADAC TLR9 4828/4885ALDH1A1 1393/4885CYP1A2 504/4885

“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.