SCHEMBL4868644

SCHEMBL4868644

C=COCCOc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
CA7 P43166 4/20 0.42
TSHR P16473 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 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
SCHEMBL4355608 0.98 TDP1 (0.44) TDP1CA12CA1CA2CA9
SCHEMBL939926 0.98 TDP1 (0.44) TDP1CA12CA1CA2CA9
SCHEMBL4131884 0.86 ALDH1A1 (0.47) CA12CA1CA2CA9CA7
SCHEMBL12743793 0.86 CA12 (0.50) TDP1CA12CA1CA2CA9
SCHEMBL939924 0.83 CA12 (0.42) CA12CA1CA2CA9CA7
SCHEMBL16590875 0.83 TDP1 (0.70) TDP1CA12CA1CA2CA9
SCHEMBL4355604 0.83 CA12 (0.42) CA12CA1CA2CA9CA7
SCHEMBL419937 0.82 THRB (0.41) TDP1ALDH1A1MAPK1MAPTHTT
SCHEMBL2516078 0.81 ALDH1A1 (0.49) TDP1CA12CA1CA2CA9
SCHEMBL6363118 0.81 CA12 (0.47) CA12CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384457-B1 COATING COMPOSITIONS MERCK PATENT GMBH (DE) 2022-07-06 EP disclosed
CN-103869623-B Coating composition 默克专利有限公司 2017-07-21 CN disclosed
US-9146467-B2 Coating compositions MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20130236833-A1 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-09-12 US disclosed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 US disclosed
US-7423075-B2 Polymer, polymer-containing composition containing the same, ink composition, and ink applying method, image forming method and image forming apparatus which make use of ink composition CANON KABUSHIKI KAISHA (JP) 2008-09-09 US disclosed
US-20050249925-A1 Polymer,polymer-containing composition containing the same, ink composition, and ink applying method, image forming method and image forming apparatus which make use of ink composition CANON KABUSHIKI KAISHA (JP) 2005-11-10 US disclosed
WO-2005085370-A1 IMAGE FORMING METHOD, PATTERN FORMING METHOD AND LIQUID-APPLYING APPARATUS WHICH MAKE USE OF LIQUID COMPOSITIONS CANON KABUSHIKI KAISHA (JP) 2005-09-15 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 (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-20100119972-A1 COATING COMPOSITION S100A9, CAPG, C5 TDP1 2553/4885CA12 105/4885CA1 382/4885

“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.