SCHEMBL2137465

SCHEMBL2137465

CCCCC(SCCC(F)F)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
ALOX5 P09917 3/20 0.34
METAP2 P50579 1/20 0.33
CYP3A4 P08684 3/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
PTGES O14684 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CHRM1 P11229 1/20 0.32
ADORA1 P30542 1/20 0.32
ATM Q13315 1/20 0.32
FDPS P14324 1/20 0.32
MAPK1 P28482 1/20 0.31
NOD1 Q9Y239 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
SCHEMBL2135990 0.95 MAPT (0.39) CA1METAP2CYP3A4TSHRALDH1A1
SCHEMBL2138664 0.91 EPHX1 (0.35) CA2CA1ALOX5CYP3A4TSHR
SCHEMBL2137151 0.90 METAP2 (0.35) METAP2CYP3A4TSHRALDH1A1ALOX15
SCHEMBL2131008 0.89 EPHX1 (0.37) CA2CA1ALOX5MAPTNOD1
SCHEMBL2135469 0.89 EPHX1 (0.37) CA2CA1ALOX5MAPTNOD1
SCHEMBL2132662 0.89 ALDH1A1 (0.39) CA2CA1ALOX5CYP3A4TSHR
SCHEMBL2135485 0.89 MAPT (0.35) CA2CA1ALOX5CYP3A4TSHR
SCHEMBL2135709 0.88 EPHX1 (0.38) MAPTFDPSNOD1CPB2EPHX1
SCHEMBL2136021 0.87 CA2 (0.46) CA2CA1CYP3A4TSHRTDP1
SCHEMBL2133270 0.86 TSHR (0.33) CA2CA1ALOX5CYP3A4TSHR

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 617/4885ALOX5 638/4885

“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.