SCHEMBL2138980

SCHEMBL2138980

CCCC(C(=O)O)S(=O)(=O)CCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
MAPT P10636 1/20 0.31
FAAH O00519 3/20 0.30
CES2 O00748 2/20 0.30
CES1 P23141 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
SCHEMBL2135412 0.90 GPR84 (0.41) GPR84FFAR1MAPTFAAHCES2
SCHEMBL1130298 0.86 GCLC (0.31)
SCHEMBL2430667 0.81
SCHEMBL3634374 0.80
SCHEMBL2134083 0.79 CHRM1 (0.39) MMP2MMP9CHRM1AKR1A1CHRM3
SCHEMBL2132834 0.77 MMP2 (0.38) MMP2MMP9CHRM1AKR1A1CHRM3
SCHEMBL4726215 0.77 GPR84 (0.32) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL12287888 0.77 CHRM1 (0.31) MMP2MMP9CHRM1AKR1A1CHRM3
SCHEMBL3633535 0.75 MAPT (0.34) MAPT
SCHEMBL12287932 0.74

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 MMP2 2714/4885MMP9 4481/4885CHRM1 761/4885

“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.