SCHEMBL2785643

SCHEMBL2785643

[O-][S+](c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.42
CYP1A2 P05177 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX12 P18054 1/20 0.40
LMNA P02545 1/20 0.40
NQO2 P16083 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GSTP1 P09211 1/20 0.37
HPGD P15428 1/20 0.37
RELA Q04206 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL7482268 0.86 CA1 (0.34) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL13249050 0.83 ALDH1A1 (0.50) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL28348708 0.83 ALDH1A1 (0.37) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL18252666 0.82 CYP2A6 (0.42) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL15109051 0.81 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL238071 0.81 CYP2A6 (0.39) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL4123829 0.81 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL28906946 0.81 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL20048735 0.81 ALDH1A1 (0.44) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL15352066 0.81 CYP2A6 (0.44) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2218715-B1 PHOTOACID GENERATOR AND PHOTOREACTIVE COMPOSITION SUMITOMO SEIKA CHEMICALS (JP) 2017-06-28 EP disclosed
US-8216768-B2 Photoacid generator and photoreactive composition SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2012-07-10 US disclosed
US-20100233621-A1 PHOTOACID GENERATOR AND PHOTOREACTIVE COMPOSITION SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2010-09-16 US disclosed
EP-2218715-A1 PHOTOACID GENERATOR AND PHOTOREACTIVE COMPOSITION Sumitomo Seika Chemicals CO. LTD. (JP) 2010-08-18 EP disclosed
CN-1238761-A benzamide aldehydes and their use as cysteine protease inhibitors BASF AG (DE) 1999-12-15 CN disclosed
EP-0514835-B1 Elastomers and products having reduced hysteresis properties BRIDGESTONE CORP (JP) 1996-07-17 EP disclosed
EP-0514835-A1 Elastomers and products having reduced hysteresis properties BRIDGESTONE CORPORATION (JP) 1992-11-25 EP disclosed
US-5151469-A Curing an anionic polymer in the presence of a catalyst BRIDGESTONE CORPORATION (JP) 1992-09-29 US disclosed
US-4303759-A REACTIVE SULFUR COMPOUND DECOMPOSES PEROXYL RADICAL AIR PRODUCTS AND CHEMICALS, INC. (US) 1981-12-01 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 (1 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-20100233621-A1 PHOTOACID GENERATOR AND PHOTOREACTIVE COMPOSITION ARSA, SULT1A1, CYBA CYP2A6 250/4885CYP1A2 347/4885ALDH1A1 261/4885

“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.