SCHEMBL6739035

SCHEMBL6739035

CCC(C[S])C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.38
CA1 P00915 4/20 0.38
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 4/20 0.33
CTSS P25774 2/20 0.33
XBP1 P17861 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
CA7 P43166 1/20 0.31
NOS1 P29475 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1803154 0.87 CA2 (0.43) CA2CA1GAAKMT2AMEN1
Water SCHEMBL27597678 0.85 CA2 (0.42) CA2CA1GAAKMT2AMEN1
SCHEMBL30832708 0.81 CA2 (0.53) CA2CA1GAAKMT2AMEN1
SCHEMBL27845571 0.81 CA2 (0.39) CA2CA1GAAKMT2AMEN1
SCHEMBL5173160 0.81 CA2 (0.39) CA2CA1GAAKMT2AMEN1
SCHEMBL6734557 0.81 CA2 (0.39) CA2CA1GAAKMT2AMEN1
SCHEMBL13575686 0.79 CA2 (0.52) CA2CA1GAAKMT2AMEN1
SCHEMBL6739039 0.79 CPB2 (0.40) CA2CA1GAAKMT2AMEN1
SCHEMBL3965986 0.79 CA2 (0.52) CA2CA1GAAKMT2AMEN1
SCHEMBL38661123 0.79 CA2 (0.38) CA2CA1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 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 (3 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-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 CA2 511/4885CA1 2224/4885GAA 1233/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 CA2 220/4885CA1 1441/4885GAA 1144/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 CA2 1233/4885CA1 3587/4885GAA 1778/4885

“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.