SCHEMBL3388491

SCHEMBL3388491

O=C(NC/C=C/c1cccc(S(=O)(=O)CC2CCCCC2)c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HDAC6 Q9UBN7 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 4/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 1/20 0.35
MLYCD O95822 1/20 0.34
CACNA1B Q00975 1/20 0.34
HTR6 P50406 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
CCR2 P41597 1/20 0.33
KIF18A Q8NI77 1/20 0.33
F2 P00734 1/20 0.33
TMPRSS6 Q8IU80 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3388493 1.00 ALDH1A1 (0.39) ALDH1A1HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL3389642 0.82 LMNA (0.47) ALDH1A1KMT2ASMN1; SMN2POLBF2
SCHEMBL3389646 0.82 LMNA (0.47) ALDH1A1KMT2ASMN1; SMN2POLBF2
SCHEMBL1726144 0.81 RORC (0.35) HDAC6KMT2ARORCCYP2D6GAA
SCHEMBL1726145 0.81 RORC (0.35) HDAC6KMT2ARORCCYP2D6GAA
SCHEMBL3386672 0.79 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2HTR6
SCHEMBL3386668 0.79 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2HTR6
SCHEMBL2205511 0.78 TLR4 (0.54) ALDH1A1HDAC6
SCHEMBL13400246 0.78 ALDH1A1 (0.40) ALDH1A1HDAC6RORCMLYCD
SCHEMBL2205516 0.78 TLR4 (0.54) ALDH1A1HDAC6

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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 ALDH1A1 314/4885HDAC6 250/4885MEN1 4678/4885

“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.