SCHEMBL3779517

SCHEMBL3779517

Cc1cc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc(C)c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.34
CA2 P00918 8/20 0.34
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5117722 0.86 CA1 (0.36) CA1CA2
SCHEMBL5124099 0.86 CA1 (0.46) CA1CA2CA9ALDH1A1
SCHEMBL5857793 0.79 CA2 (0.36) CA1CA2
SCHEMBL3779513 0.79 HSD17B2 (0.39) ALDH1A1
SCHEMBL5858639 0.78 CA2 (0.38) CA1CA2
SCHEMBL51945 0.76 ALDH1A1 (0.39) CA1CA2CA9ALDH1A1CYP1A2
SCHEMBL3788520 0.76
SCHEMBL5856167 0.76 CA1 (0.35) CA1CA2
SCHEMBL5438873 0.75 ALDH1A1 (0.39) CA1CA2CA9ALDH1A1CYP1A2
SCHEMBL678361 0.75 ALDH1A1 (0.38) CA1CA2CA9ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858287-B2 Photosensitive resin, and photosensitive composition HYOGO PREFECTURE (JP) 2010-12-28 US disclosed
US-20090142697-A1 PHOTOSENSITIVE RESIN, AND PHOTOSENSITIVE COMPOSITION TOYO GOSEI CO., LTD. (JP) 2009-06-04 US disclosed
US-7396960-B2 Sulfonium salts TOYO GOSEI CO., LTD. (JP) 2008-07-08 US disclosed
US-20070219368-A1 Sulfonium salts TOYO GOSEI CO., LTD. (JP) 2007-09-20 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 (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-20070219368-A1 Sulfonium salts C1S, F12, C1R CA1 421/4885CA2 198/4885CA9 698/4885

“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.