SCHEMBL2021074

SCHEMBL2021074

CC(=S)OCCCC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
ALDH1A1 P00352 1/20 0.30
MAOB P27338 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
SCHEMBL8211739 0.91 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL8213797 0.91 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL8213850 0.91 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL8211729 0.91 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL8215194 0.91 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL2020447 0.85 SLC13A3 (0.31)
SCHEMBL5854605 0.85 MEN1 (0.37)
SCHEMBL14814074 0.83 ALDH1A1 (0.31) ALDH1A1MAOB
SCHEMBL9963673 0.79 ALDH1A1 (0.54) CA2ALDH1A1MAOB
SCHEMBL21092348 0.79 TSHR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162429-B1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2016-04-13 EP disclosed
CN-104185622-A 6,7-dihydro-5h-benzo[7]annulene derivatives, methods for the production thereof, pharmaceutical preparations that contain said 6,7-dihydro-5h-benzo[7]annulene derivatives, and use thereof to produce drugs BAYER IP GMBH 2014-12-03 CN disclosed
US-8247596-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2347653-A2 Animal ectoparasite control composition Sumitomo Chemical Company, Limited (JP) 2011-07-27 EP disclosed
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-30 US disclosed
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 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 (2 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-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION ADIPOR1, ADIPOR2, PLIN3 CA12 4267/4885CA1 3928/4885CA2 4179/4885
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF C5, C1S, C9 CA12 2882/4885CA1 2334/4885CA2 2092/4885

“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.