SCHEMBL2808758

SCHEMBL2808758

Cc1cc(S(=O)(=O)c2cc(C)c(N)c(N)c2)cc(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 5/20 0.41
HTR6 P50406 3/20 0.41
PKM P14618 2/20 0.41
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 3/20 0.36
MPO P05164 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 3/20 0.35
CD44 P16070 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL3947257 0.88 ALDH1A1 (0.50) GAAMAPTALDH1A1HTR6PKM
SCHEMBL21589353 0.83 NT5E (0.47) GAAMAPTALDH1A1PKMCYP3A4
SCHEMBL2810534 0.80 GAA (0.56) GAAMAPTALDH1A1HTR6PKM
SCHEMBL940947 0.78 CA1 (0.52) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL8403864 0.77 ALDH1A1 (0.46) GAAMAPTALDH1A1HTR6PKM
SCHEMBL5982232 0.75 ACHE (0.36) GAAMAPTALDH1A1HTR6PKM
SCHEMBL1503408 0.73 MAPT (0.57) GAAMAPTALDH1A1HTR6PKM
SCHEMBL11122473 0.73 MAPT (0.57) GAAMAPTALDH1A1HTR6PKM
SCHEMBL436337 0.73 ALDH1A1 (0.55) GAAMAPTALDH1A1HTR6PKM
SCHEMBL2810545 0.73 CA1 (0.56) GAAMAPTALDH1A1HTR6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B GAA 4079/4885MAPT 4057/4885ALDH1A1 401/4885

“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.