SCHEMBL2136332

SCHEMBL2136332

CC(C)C(SCCCF)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
APLNR P35414 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
SCHEMBL2134567 0.95 CA1 (0.31) CA1CA2CA7NOS1NOS3
SCHEMBL2137480 0.94 EPHX1 (0.32) CA1CA2CA7NOS1NOS3
SCHEMBL2137569 0.94 EPHX1 (0.32) CA1CA2CA7NOS1NOS3
SCHEMBL2133048 0.94 EPHX1 (0.32) CA1CA2CA7NOS1NOS3
SCHEMBL2137761 0.84 NOS1 (0.33) CA1CA2CA7NOS1NOS3
SCHEMBL2135547 0.84 AAK1 (0.36) CA1CA2CA7NOS1NOS3
SCHEMBL2137724 0.84 AAK1 (0.32) CA1CA2CA7NOS1NOS3
SCHEMBL2138621 0.83 EPHX1 (0.35) CA1CA2CA7NOS1NOS3
SCHEMBL2138404 0.83 AAK1 (0.36)
SCHEMBL2133072 0.83 NOS1 (0.32) NOS1NOS3NOS2APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
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 CA1 617/4885CA2 737/4885CA7 476/4885

“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.