SCHEMBL2135181

SCHEMBL2135181

COC(=O)C(CC(C)C)SCCCC(C)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MME P08473 1/20 0.31
BIRC2 Q13490 2/20 0.30
EPHX1 P07099 1/20 0.30
FOLH1 Q04609 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
SCHEMBL2133833 0.95 NOS3 (0.33) NOS3NOS1NOS2CA1CA2
SCHEMBL2134953 0.94 NOS3 (0.33) NOS3NOS1NOS2CA1CA2
SCHEMBL2134080 0.89 NOS3 (0.34) NOS3NOS1NOS2CA1CA2
SCHEMBL2137013 0.88 NOS3 (0.34) NOS3NOS1NOS2CA1CA2
SCHEMBL2135517 0.88 EPHX1 (0.30) EPHX1
SCHEMBL2136309 0.87 MMP8 (0.32)
SCHEMBL2134105 0.87 TSHR (0.31)
SCHEMBL2133830 0.87 POLB (0.31)
SCHEMBL2133376 0.85 NOS3 (0.33) NOS3NOS1NOS2CA1CA2
SCHEMBL2132430 0.85 NOS3 (0.33) NOS3NOS1NOS2

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
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 NOS3 854/4885NOS1 753/4885NOS2 1119/4885

“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.