SCHEMBL816752

SCHEMBL816752

Cc1cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.37
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
SELL P14151 1/20 0.30
SELP P16109 1/20 0.30
SELE P16581 1/20 0.30
ACHE P22303 1/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL15108104 0.94 ALDH1A1 (0.40) PDE2AALDH1A1TSHRCA1CA9
SCHEMBL15786432 0.84 ACHE (0.38) PDE2AACHE
SCHEMBL1966425 0.83 PDE2A (0.39) PDE2A
SCHEMBL17515293 0.82 PDE2A (0.31) PDE2A
SCHEMBL17515292 0.82 ALDH1A1 (0.36) PDE2AALDH1A1
SCHEMBL21588170 0.80 RAPGEF4 (0.41) PDE2APGK1PGK2
SCHEMBL16806445 0.77 CA2 (0.38) ACHE
SCHEMBL16380967 0.77 ACHE (0.34) ACHEPGK1PGK2
SCHEMBL31367042 0.77 CYP2A6 (0.38)
SCHEMBL17444932 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312795-B2 Transition metal complex for use in or as a catalyst for olefin polymerization SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2022-04-26 US disclosed
EP-3630851-B1 PREPARATION OF POLYMER DISPERSIONS SABIC GLOBAL TECHNOLOGIES BV (NL) 2021-07-07 EP disclosed
US-20200087425-A1 TRANSITION METAL COMPLEX FOR USE IN OR AS A CATALYST FOR OLEFIN POLYMERIZATION SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-03-19 US disclosed
US-8653302-B2 Processes for preparing poly(pentafluorosulfanyl)aromatic compounds UBE INDUSTRIES, LTD. (JP) 2014-02-18 US disclosed
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 US disclosed
US-20110166392-A1 Processes for Preparing Poly(Pentafluorosulfanyl)Aromatic Compounds UBE INDUSTRIES, LTD. (JP) 2011-07-07 US disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 US disclosed
US-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 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 (5 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-20110166392-A1 Processes for Preparing Poly(Pentafluorosulfanyl)Aromatic Compounds PFAS, PUF60, FES PDE2A 4852/4885ALDH1A1 4300/4885TSHR 1592/4885
US-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 PDE2A 3916/4885ALDH1A1 2479/4885TSHR 1160/4885
US-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 PDE2A 3203/4885ALDH1A1 2466/4885TSHR 886/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 PDE2A 3945/4885ALDH1A1 2925/4885TSHR 754/4885
US-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 PDE2A 3630/4885ALDH1A1 3874/4885TSHR 1047/4885

“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.