SCHEMBL1701448

SCHEMBL1701448

CC(Oc1ccc(Cl)cc1)C(O)=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
EPHX2 P34913 2/20 0.43
LMNA P02545 2/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
MAP4K4 O95819 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL10875396 0.81 GAA (0.50) POLBCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL1360714 0.80 OGG1 (0.39) POLBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL607372 0.80 CYP1A2 (0.65) POLBCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL117259 0.80 CYP1A2 (0.65) POLBCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL2399722 0.80 CYP1A2 (0.65) POLBCYP1A2CYP2C9CYP2C19EPHX2
Hydrochloric Acid SCHEMBL11632943 0.78 CYP1A2 (0.62) POLBCYP1A2CYP2C9CYP2C19EPHX2
Ammonia Solution, Strong SCHEMBL28260028 0.78 CYP1A2 (0.62) POLBCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL27765434 0.78 CYP1A2 (0.62) POLBCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL20591019 0.78 CYP1A2 (0.62) POLBCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL10671950 0.77 EPHX2 (0.48) POLBCYP1A2CYP2C9CYP2C19EPHX2

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62209002-A None JP disclosed
JP-58189102-A None JP disclosed
US-20130210630-A1 SELF-EMULSIFYING OIL ISP INVESTMENTS INC. (DE) 2013-08-15 US disclosed
WO-2012003441-A1 SELF-EMULSIFYING OIL ISP INVESTMENTS INC. (US) 2012-01-05 WO disclosed
US-7638506-B2 cationic surfactants; wear resistance; kneading, extrusion; sustained release KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-12-29 US disclosed
US-7019046-B2 Aqueous suspension agent for water insoluble compounds ISP INVESTMENTS INC. (US) 2006-03-28 US disclosed
WO-2006023409-A1 SOLID POLYMERIC DISPERSANT COMPOSITION FOR WATER-INSOLUBLE ACTIVES ISP INVESTMENTS INC. (US) 2006-03-02 WO disclosed
US-20060039944-A1 Solid polymeric dispersant composition for water-insoluble actives ISP INVESTMENTS INC. 2006-02-23 US disclosed
US-20050250648-A1 Granular agricultura-chemical composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-10 US disclosed
EP-1498030-A1 GRANULAR AGRICULTURAL-CHEMICAL COMPOSITION KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-01-19 EP disclosed
EP-0505378-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1992-09-30 EP disclosed
WO-1992013454-A1 STABILIZATION OF MICROEMULSIONS USING HYDROPHOBIC ACID BUFFERS ISP INVESTMENTS INC. (US) 1992-08-20 WO disclosed
EP-0326170-B1 SULFONAMIDE AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1991-12-11 EP disclosed
US-5071463-A Stable, emulsifiable concentrate of an herbicide and pyrrolido ne derivative; dispersibility ISP INVESTMENTS INC. (US) 1991-12-10 US disclosed
WO-1991008665-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1991-06-27 WO disclosed
EP-0326170-A1 Sulfonamide and herbicide containing the same as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1989-08-02 EP disclosed
EP-0281110-A2 N-[2-(pyridyl)propyl]-N-substituted sulfonamide, herbicide containing the same as an active ingredient and intermediate thereof MITSUBISHI KASEI CORPORATION (JP) 1988-09-07 EP disclosed
JP-S62209002-A HERBICIDE FOR BARLEY FIELD HOKKO CHEM IND CO LTD 1987-09-14 JP disclosed
JP-S58189102-A FRUIT THINNING AGENT HOKKO CHEM IND CO LTD 1983-11-04 JP disclosed
EP-0068295-A1 A new herbicidal composition, processes for its production and its use A. Nattermann & Cie. GmbH (DE) 1983-01-05 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 (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-20050250648-A1 Granular agricultura-chemical composition PRKG1, PRKAG2, AGK POLB 1999/4885CYP1A2 3877/4885CYP2C9 3842/4885
US-20130210630-A1 SELF-EMULSIFYING OIL PHOSPHO1, SQLE, ALOX15 POLB 813/4885CYP1A2 2472/4885CYP2C9 2895/4885

“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.