SCHEMBL3670166

SCHEMBL3670166

O=S(=O)(c1ccc2ccccc2c1-c1c(S(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.42
CES1 P23141 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
WDR5 P61964 1/20 0.39
HPRT1 P00492 1/20 0.37
CCR2 P41597 1/20 0.36
MAPT P10636 1/20 0.36
CTRB1 P17538 1/20 0.36
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL7636752 0.91 NSD2 (0.43) MAPTHSP90AA1HSP90AB1ERN1
SCHEMBL5162395 0.85 MPL (0.39) MAPTCTRB1HSP90AA1HSP90AB1ERN1
SCHEMBL9224580 0.83 NPSR1 (0.33) DNMT1CES1WDR5RORARORC
SCHEMBL3241709 0.81 CA1 (0.57) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL16568785 0.81 ERN1 (0.50) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL29786464 0.75 CA1 (0.64) DNMT1CES1CA1CA2CA9
SCHEMBL2785876 0.75 CTRB1 (0.53) DNMT1CES1CA1CA2CA9
SCHEMBL29972292 0.75 CTRB1 (0.53) DNMT1CES1CA1CA2CA9
Potassium Ion SCHEMBL3628026 0.73 DNMT1 (0.44) DNMT1CES1CA1CA2CA9
Ammonia Solution, Strong SCHEMBL3630747 0.73 CTRB1 (0.51) DNMT1CES1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5017491-A None JP disclosed
EP-1831326-B1 ELECTROLUMINESCENT POLYMERS AND THEIR USE MERCK PATENT GMBH (DE) 2017-03-01 EP disclosed
US-20100108989-A1 ELECTROLUMINESCENT POLYMERS AND USE THEREOF MERCK PATENT GMBH (DE) 2010-05-06 US disclosed
EP-0503884-B1 Optically active diphenylphosphino-binaphtyl compounds and catalytic transition metal complexes thereof TAKASAGO PERFUMERY CO LTD (JP) 1995-07-26 EP disclosed
US-5231202-A OPTICALLY ACTIVE TERTIARY PHOSPHINE COMPOUND AND TRANSITION METAL COMPLEX USING THE SAME AS LIGAND TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-07-27 US disclosed
JP-H0517491-A OPTICALLY ACTIVE TERTIARY PHOSPHINE COMPOUND AND TRANSITION METAL COMPLEX COMPRISING THE SAME COMPOUND AS LIGAND TAKASAGO INTERNATL CORP 1993-01-26 JP disclosed
EP-0503884-A1 Optically active diphenylphosphino-binaphtyl compounds and catalytic transition metal complexes thereof Takasago International Corporation (JP) 1992-09-16 EP 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-20100108989-A1 ELECTROLUMINESCENT POLYMERS AND USE THEREOF MAP1LC3C, EPCAM, MAP1LC3A DNMT1 372/4885CES1 2563/4885CA1 3567/4885

“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.