SCHEMBL2134235

SCHEMBL2134235

CCC(SCCC(F)F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
CPB1 P15086 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
FOLH1 Q04609 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
SCHEMBL2134406 0.87 MAPT (0.39) HTTMAPTPOLBCPB1CA2
SCHEMBL2132835 0.86 CHRM1 (0.40) MAPTCPB1CA2MAPK1CHRM1
SCHEMBL2140603 0.85 MAPT (0.42) HTTMAPTPOLBCA2MAPK1
SCHEMBL2135968 0.85 MAPT (0.42) HTTMAPTPOLBCA2MAPK1
SCHEMBL2137328 0.83 HSD17B10 (0.46) MAPTCA2MAPK1CHRM1AKR1A1
SCHEMBL2132216 0.81 RNPEP (0.36) CPB1RNPEPFOLH1
SCHEMBL2139396 0.79 MAPT (0.35) HTTMAPTPOLBCPB1CA2
SCHEMBL2137812 0.79 MAPT (0.35) HTTMAPTPOLBCPB1CA2
SCHEMBL5328465 0.79 HTT (0.40) HTTPOLBCPB1CA2MAPK1
SCHEMBL2136443 0.78 MAPT (0.38) HTTMAPTPOLBCA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTT 1998/4885MAPT 4195/4885POLB 3794/4885

“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.