SCHEMBL3386672

SCHEMBL3386672

NCC=Cc1cccc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
AOC2 O75106 4/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
HTR6 P50406 2/20 0.33
HSP90AA1 P07900 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3386668 1.00 ALDH1A1 (0.37) ALDH1A1TLR4TLR2SMN1; SMN2AOC2
SCHEMBL3388493 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL3388491 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL3387965 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AHSP90AA1MAPK1
SCHEMBL3387961 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AHSP90AA1MAPK1
SCHEMBL13432911 0.78 HTR6 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL3390215 0.76 AOC2 (0.36) ALDH1A1AOC2MAOBKMT2A
SCHEMBL3390221 0.76 AOC2 (0.36) ALDH1A1AOC2MAOBKMT2A
SCHEMBL1724175 0.75 CA12 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL15226077 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AGAA

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 314/4885TLR4 947/4885TLR2 2090/4885

“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.