SCHEMBL2137218

SCHEMBL2137218

CCOC(=O)C(C)SCCC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.39
METAP1 P53582 3/20 0.34
ALDH1A1 P00352 4/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
PRNP P04156 1/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL2136478 0.88 EPHX1 (0.41) METAP2METAP1ALDH1A1EPHX1LMNA
SCHEMBL2132536 0.86 EPHX1 (0.44) METAP2METAP1ALDH1A1EPHX1LMNA
SCHEMBL2137720 0.86 EPHX1 (0.44) METAP2METAP1ALDH1A1EPHX1LMNA
SCHEMBL2135259 0.86 EPHX1 (0.35) ALDH1A1EPHX1MAPT
SCHEMBL2138121 0.84 TSHR (0.36) ALDH1A1TDP1L3MBTL1
SCHEMBL2134774 0.83 SMN1; SMN2 (0.38) METAP2ALDH1A1EPHX1KDM4ECYP2C9
SCHEMBL2136025 0.83 ALDH1A1 (0.40) ALDH1A1EPHX1LMNAMAPTTDP1
SCHEMBL2139529 0.82 METAP2 (0.38) METAP2METAP1ALDH1A1LMNAHSD17B10
SCHEMBL2132187 0.82 EPHX1 (0.39) METAP2METAP1ALDH1A1EPHX1LMNA
SCHEMBL2139050 0.81 TSHR (0.32) EPHX1

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 METAP2 1469/4885METAP1 939/4885ALDH1A1 41/4885

“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.