SCHEMBL2741400

SCHEMBL2741400

CC1=C(C)CN(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
CYP2C9 P11712 1/20 0.57
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PKM P14618 2/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
MMP2 P08253 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
TSHR P16473 2/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50

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
SCHEMBL12330052 0.83 PKM (0.66) POLBGAAALDH1A1HTTMEN1
SCHEMBL2694482 0.81 MEN1 (0.76) POLBALDH1A1CYP2C9MEN1KMT2A
SCHEMBL3830424 0.78 POLB (0.80) POLBGAAALDH1A1CYP2C9PKM
SCHEMBL735657 0.78 POLB (0.80) POLBGAAALDH1A1CYP2C9PKM
SCHEMBL7122592 0.78 POLB (0.80) POLBGAAALDH1A1CYP2C9PKM
SCHEMBL23564493 0.77 PKM (0.53) POLBGAAALDH1A1MAPTHTT
SCHEMBL11628895 0.76 GAA (0.86) POLBGAAALDH1A1HTTMEN1
SCHEMBL5708819 0.75 GAA (0.62) POLBGAAALDH1A1HTTMEN1
SCHEMBL20599625 0.74 CYP2C9 (0.61) POLBGAAALDH1A1CYP2C9MEN1
SCHEMBL1988224 0.74 ALDH1A1 (0.81) POLBGAAALDH1A1CYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160243535-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. 2016-08-25 US disclosed
US-20160243535-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. 2016-08-25 US disclosed
US-9339805-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2016-05-17 US disclosed
US-9339805-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2016-05-17 US disclosed
US-9233365-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2016-01-12 US disclosed
US-9233365-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2016-01-12 US disclosed
US-20150202610-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. (US) 2015-07-23 US disclosed
US-20150202610-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. (US) 2015-07-23 US disclosed
US-8859779-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2014-10-14 US disclosed
US-8859779-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2014-10-14 US disclosed
US-20130261296-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. 2013-10-03 US disclosed
US-20130261296-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. 2013-10-03 US disclosed
US-20120004418-A1 Catalyst Complex With Carbene Ligand MATERIA, INC. 2012-01-05 US disclosed
US-20120004418-A1 Catalyst Complex With Carbene Ligand MATERIA, INC. 2012-01-05 US disclosed
US-7902389-B2 Catalyst complex with carbene ligand MATERIA, INC. 2011-03-08 US disclosed
US-20100160642-A1 Catalyst Complex With Carbene Ligand UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION, INC. (US) 2010-06-24 US disclosed
US-7622590-B1 Including a metal atom having anionic ligands, at least one nucleophilic carbene ligand, and an alkylidene, vinylidene, or allenylidene ligand; complexes are highly stable to air, moisture and thermal degradation; designed to efficiently carry out a variety of olefin metathesis reactions UNIVERSITY OF NEW ORLEANS FOUNDATION (US) 2009-11-24 US disclosed
US-7622590-B1 Including a metal atom having anionic ligands, at least one nucleophilic carbene ligand, and an alkylidene, vinylidene, or allenylidene ligand; complexes are highly stable to air, moisture and thermal degradation; designed to efficiently carry out a variety of olefin metathesis reactions UNIVERSITY OF NEW ORLEANS FOUNDATION (US) 2009-11-24 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 (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-20120004418-A1 Catalyst Complex With Carbene Ligand ZC3H18, ZC3HAV1L, PDCD1LG2 POLB 1027/4885GAA 3567/4885ALDH1A1 3385/4885
US-20130261296-A1 CATALYST COMPLEX WITH CARBENE LIGAND ZC3HAV1L, PDCD1LG2, ICOSLG POLB 919/4885GAA 3511/4885ALDH1A1 3335/4885
US-20150202610-A1 CATALYST COMPLEX WITH CARBENE LIGAND ZC3HAV1L, PDCD1LG2, ICOSLG POLB 919/4885GAA 3511/4885ALDH1A1 3335/4885
US-20100160642-A1 Catalyst Complex With Carbene Ligand ZC3H18, ZC3HAV1L, PDCD1LG2 POLB 1027/4885GAA 3567/4885ALDH1A1 3385/4885
US-20160243535-A1 CATALYST COMPLEX WITH CARBENE LIGAND ZC3HAV1L, PDCD1LG2, ICOSLG POLB 919/4885GAA 3511/4885ALDH1A1 3335/4885

“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.