SCHEMBL3084587

SCHEMBL3084587

S=C(S)OC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
EPHX1 P07099 2/20 0.40
SGMS1 Q86VZ5 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
CYP2C19 P33261 1/20 0.35
NAAA Q02083 2/20 0.34
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MMP2 P08253 1/20 0.33
MGLL Q99685 1/20 0.33
CYP19A1 P11511 2/20 0.32
MMP1 P03956 1/20 0.31
PHGDH O43175 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
SCHEMBL9057692 1.00 CA1 (0.56) CA1CA2CA12CA9EPHX1
SCHEMBL9856331 0.97 CA1 (0.54) CA1CA2CA12CA9EPHX1
SCHEMBL9056933 0.97 CA1 (0.54) CA1CA2CA12CA9EPHX1
Potassium SCHEMBL7756443 0.97 CA1 (0.54) CA1CA2CA12CA9EPHX1
SCHEMBL5597926 0.97 CA1 (0.54) CA1CA2CA12CA9EPHX1
Potassium SCHEMBL9056047 0.97 CA1 (0.54) CA1CA2CA12CA9EPHX1
SCHEMBL10458759 0.97
SCHEMBL11217032 0.95 CA12 (0.52) CA1CA2CA12CA9EPHX1
SCHEMBL29138558 0.90
SCHEMBL10458758 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996014841-A1 ANTIVIRAL AND ANTITUMOR PHARMACEUTICAL COMPOSITIONS CT-HOLDING S.A. (CH) 1996-05-23 WO claimed
US-4981869-A Xanthates as antitumor agents MERZ & CO., GMBH & CO. (DE) 1991-01-01 US claimed
US-4602037-A USING A BISBIGUANIDE SPERMICIDE MERZ+CO. GMBH & CO. (DE) 1986-07-22 US claimed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US claimed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
US-20070244076-A1 Site and Rate Selective Prodrug Formulations of D609 with Antioxidant and Anticancer Activity MUSC FOUNDATION RESEARCH DEVELOPMENT (US) 2007-10-18 US disclosed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US disclosed
US-4379152-A Cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1983-04-05 US disclosed
US-4327097-A BACTERICIDES FOR MAMMALS TOYAMA CHEMICAL CO., LTD. (JP) 1982-04-27 US disclosed
US-4219554-A Novel penicillins and cephalosporins and process for producing same TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-08-26 US disclosed
US-4112090-A BACTERICIDE TOYAMA CHEMICAL CO., LTD. (JP) 1978-09-05 US disclosed
US-4110327-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1978-08-29 US disclosed
US-4087424-A Novel penicillins and cephalosporins and process for producing the same TOYAMA CHEMICAL CO., LTD. (JA) 1978-05-02 US disclosed
US-3994950-A Xanthate-Lewis acid complexes TEE-PAK, INC. (US) 1976-11-30 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 (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-20070244076-A1 Site and Rate Selective Prodrug Formulations of D609 with Antioxidant and Anticancer Activity CDK9, CASP9, UGT1A9 CA1 1708/4885CA2 1657/4885CA12 968/4885

“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.