SCHEMBL12540503

SCHEMBL12540503

CCCOc1ccc(S(=O)(=O)N(C)C)cc1C=[Ru](Cl)(Cl)=C1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
NLRP3 Q96P20 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GPR55 Q9Y2T6 1/20 0.31
LMNA P02545 1/20 0.31
CYP19A1 P11511 1/20 0.31
PDE5A O76074 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
SCHEMBL29555304 0.83 POLB (0.34) POLB
SCHEMBL3488891 0.82 MAPT (0.35) MAPTNLRP3PTGDR2MCOLN3KMT2A
SCHEMBL3698490 0.73 ALDH1A1 (0.38) MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL3680439 0.72 TDP1 (0.32) MAPTMAPK1SMN1; SMN2
SCHEMBL16390035 0.70 POLB (0.35) MAPTPOLBSMN1; SMN2ALDH1A1GPR55
SCHEMBL3682972 0.70 CDK4 (0.30)
SCHEMBL29814403 0.70 POLB (0.35) POLBSMN1; SMN2LMNA
SCHEMBL16390545 0.69 NPC1 (0.37) MAPTPTGDR2KMT2ATSHRSMN1; SMN2
SCHEMBL1194744 0.69 CYP19A1 (0.35) MAPTKMT2APOLBTSHRMAPK1
SCHEMBL29380873 0.69 CYP19A1 (0.35) MAPTKMT2APOLBTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623962-B2 Olefin functionalization by metathesis reaction EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-01-07 US claimed
US-20130030126-A1 Olefin Functionalization By Metathesis Reaction EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-01-31 US claimed
US-20120245290-A1 Diblock Copolymers Prepared by Cross Metathesis EXXONMOBIL CHEMICAL PATENTS INC. 2012-09-27 US claimed
US-8940839-B2 Diblock copolymers prepared by cross metathesis EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-01-27 US disclosed
US-8871738-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8785562-B2 Amphiphilic block polymers prepared by alkene metathesis EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-07-22 US disclosed
US-8754170-B2 Amphiphilic block polymers prepared by alkene EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-06-17 US disclosed
US-8669330-B2 Olefin triblock polymers via ring-opening metathesis polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-11 US disclosed
US-8623962-B2 Olefin functionalization by metathesis reaction EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-01-07 US disclosed
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME LLC 2013-05-02 US disclosed
US-20130030126-A1 Olefin Functionalization By Metathesis Reaction EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-01-31 US disclosed
US-20120245290-A1 Diblock Copolymers Prepared by Cross Metathesis EXXONMOBIL CHEMICAL PATENTS INC. 2012-09-27 US disclosed
US-20120245294-A1 Olefin Triblock Polymers via Ring-Opening Metathesis Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2012-09-27 US disclosed
US-20120245298-A1 Amphiphilic Block Polymers Prepared by Alkene Metathesis EXXONMOBIL CHEMICAL PATENTS INC. 2012-09-27 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-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR CETP, MTTP, APOB MAPT 2668/4885NLRP3 425/4885PTGDR2 4819/4885
US-20130030126-A1 Olefin Functionalization By Metathesis Reaction MAX, AP1M1, AP3M1 MAPT 1121/4885NLRP3 995/4885PTGDR2 2703/4885

“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.