SCHEMBL2138506

SCHEMBL2138506

CCCCC(SCCCC(F)CC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.36
CA1 P00915 2/20 0.36
TSHR P16473 3/20 0.33
CYP3A4 P08684 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
ATM Q13315 1/20 0.33
ALOX5 P09917 3/20 0.32
MAPK1 P28482 1/20 0.32
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
PTGES O14684 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM1 P11229 1/20 0.30
ADORA1 P30542 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2132050 0.96 CA2 (0.35) CA2CA1TSHRCYP3A4TDP1
SCHEMBL2134910 0.96 MAPT (0.36) CA2CA1ALOX5EPHX1PTGES
SCHEMBL2134575 0.93 EPHX1 (0.36) CA2CA1ALOX5EPHX1PTGES
SCHEMBL2135377 0.93 TDP1 (0.31) CA2CA1TSHRCYP3A4TDP1
SCHEMBL2137775 0.91 CA1 (0.33) CA2CA1TSHRCYP3A4TDP1
SCHEMBL2133050 0.90 CA2 (0.35) CA2CA1TSHRCYP3A4TDP1
SCHEMBL2137018 0.90 ALDH1A1 (0.36) CA2CA1TSHRCYP3A4TDP1
SCHEMBL2137500 0.88 CA2 (0.46) CA2CA1TSHRCYP3A4TDP1
SCHEMBL2135100 0.88 CPB2 (0.31) TSHRCYP3A4TDP1EPHX1ALDH1A1
SCHEMBL2137009 0.87 TSHR (0.33) CA2CA1TSHRCYP3A4TDP1

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 CA2 737/4885CA1 617/4885TSHR 254/4885

“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.