SCHEMBL5604683

SCHEMBL5604683

CCCCCCCCCCCCOS(=O)(=O)CCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.52
CA2 P00918 9/20 0.52
CA9 Q16790 8/20 0.52
CA12 O43570 3/20 0.52
CA7 P43166 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
RECQL P46063 2/20 0.50
TSHR P16473 2/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
EPHX2 P34913 1/20 0.50
BLM P54132 1/20 0.50
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL28172236 1.00 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL339191 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL16343055 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL15156819 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL30865611 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL339980 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL28702213 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL28760005 0.98 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL28575142 0.93 MEN1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL5604680 0.92 CA1 (0.47) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3771336-A1 REPELLENT COMPOSITION Athenion AG (CH) 2021-02-03 EP disclosed
EP-3771335-A1 REPELLENT COMPOSITION Athenion AG (CH) 2021-02-03 EP disclosed
CN-110338193-A Penoxsulam preparation and preparation method thereof 湖北广富林生物制剂有限公司 2019-10-18 CN disclosed
CN-101442908-B The tick of preparation and insect repellent composition 纳幕尔杜邦公司 2016-09-28 CN disclosed
US-9314021-B2 Formulations containing insect repellent compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2016-04-19 US disclosed
US-20140288167-A1 Formulations Containing Insect Repellent Compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-25 US disclosed
US-8771718-B2 Formulated tick and insect repellent compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-08 US disclosed
US-8748477-B2 Formulations containing insect repellent compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-10 US disclosed
EP-2627305-A2 COMPOSITIONS AND METHODS FOR TREATING KERATIN BASED FIBERS Coolway Inc. (US) 2013-08-21 EP disclosed
WO-2012051629-A2 COMPOSITIONS AND METHODS FOR TREATING KERATIN BASED FIBERS MANEWORX INC. (US) 2012-04-19 WO disclosed
CN-101442908-A Formulated tick and insect repellent compositions DU PONT (US) 2009-05-27 CN disclosed
US-20070264297-A1 Formulated tick and insect repellent compositions 1,4Group, Inc. 2007-11-15 US disclosed
US-20060223878-A1 Formulations containing insect repellent compounds 1,4Group, Inc. 2006-10-05 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-20140288167-A1 Formulations Containing Insect Repellent Compounds CAT, HNMT, MME CA1 1683/4885CA2 3120/4885CA9 2308/4885
US-20060223878-A1 Formulations containing insect repellent compounds CAT, HNMT, MME CA1 1683/4885CA2 3120/4885CA9 2308/4885
US-20070264297-A1 Formulated tick and insect repellent compositions MME, FNTA, ACHE CA1 2731/4885CA2 3144/4885CA9 2787/4885

“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.