SCHEMBL6937345

SCHEMBL6937345

Cc1ccc(C)c(OS(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
TSHR P16473 3/20 0.43
PPARA Q07869 2/20 0.41
CYP2C9 P11712 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 2/20 0.41
ALPL P05186 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 3/20 0.38
TTR P02766 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL6937925 0.83 CA1 (0.55) CA1CA2CA9TSHRHTT
SCHEMBL9958393 0.82 ACHE (0.65) CA1CA2CA9TSHRLMNA
SCHEMBL14872751 0.80 CA1 (0.56) CA1CA2CA9TSHRCYP1A2
SCHEMBL9957651 0.80 ACHE (0.63) CA1CA2CA9TSHRCYP2C9
SCHEMBL17355701 0.80 CA1 (0.56) CA1CA2CA9TSHRCYP2C9
SCHEMBL14872750 0.80 CA1 (0.52) CA1CA2CA9TSHRLMNA
SCHEMBL6234556 0.79 TSHR (0.38) CA1CA2CA9TSHRCYP2C9
SCHEMBL6942034 0.79 GAA (0.50) CA1CA2CA9CYP2C9LMNA
SCHEMBL4128378 0.79 CA1 (0.50) CA1CA2CA9TSHRPPARA
SCHEMBL4391898 0.77 CA1 (0.49) CA1CA2CA9TSHRPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322410-B2 Ligand for catalyst or pre-catalyst and method of forming C(SP2)-N bond DALHOUSIE UNIVERSITY (CA) 2019-06-18 US disclosed
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 EP disclosed
US-20180141030-A1 LIGAND FOR CATALYST OR PRE-CATALYST AND METHOD OF FORMING C(SP2)-N BOND DALHOUSIE UNIVERSITY (CA) 2018-05-24 US disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
WO-2016191873-A1 LIGAND FOR CATALYST OR PRE-CATALYST AND METHOD OF FORMING C(SP2)-N BOND DALHOUSIE UNIVERSITY (CA) 2016-12-08 WO disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 US disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 EP disclosed
US-7220783-B2 Para-terphenyl compounds SHIONOGI & CO., LTD. (JP) 2007-05-22 US disclosed
US-7220783-B2 Para-terphenyl compounds SHIONOGI & CO., LTD. (JP) 2007-05-22 US disclosed
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 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 (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-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT CA1 4452/4885CA2 3856/4885CA9 2329/4885
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 CA1 4340/4885CA2 3780/4885CA9 3088/4885
US-20180141030-A1 LIGAND FOR CATALYST OR PRE-CATALYST AND METHOD OF FORMING C(SP2)-N BOND SP1, SOD1, AP1M1 CA1 743/4885CA2 1523/4885CA9 996/4885
US-10322410-B2 Ligand for catalyst or pre-catalyst and method of forming C(SP2)-N bond SP1, SOD1, AP1M1 CA1 743/4885CA2 1523/4885CA9 996/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 CA1 952/4885CA2 163/4885CA9 411/4885

“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.