Sugi Predict

Sugi Predict / Compounds / SCHEMBL2532216

SCHEMBL2532216

SCHEMBL2532216

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 5/20 0.53
▸ MLNR O43193 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CTSD P07339 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP3A5 P20815 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ TBXAS1 P24557 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ ABCB1 P08183 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ KCND3 Q9UK17 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39

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
SCHEMBL12223151 0.97 SPPL2A (0.55) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13328563 0.92 SPPL2A (0.58) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL12223166 0.91 SPPL2A (0.59) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL1271929 0.90 SPPL2A (0.44) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2532263 0.85 MLNR (0.51) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL4164455 0.84 BACE1 (0.39) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13852956 0.84 MLNR (0.49) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL23129692 0.82 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL9605440 0.82 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL608142 0.82 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592487-B2 Deuterated darunavir CONCERT PHARMACEUTICALS, INC. (US) 2013-11-26 — — US disclosed
US-20110257111-A1 Hydroxyethlamino Sulfonamide Derivatives CONCERT PHARMACEUTICALS, INC. 2011-10-20 — — US disclosed
US-20100113589-A1 Deuterated darunavir CONCERT PHARMACCUTICALS, INC. (US) 2010-05-06 — — US disclosed
US-20100113589-A1 Deuterated darunavir CONCERT PHARMACCUTICALS, INC. (US) 2010-05-06 — — US disclosed
US-20090131363-A1 Deuterated darunavir CONCERT PHARMACEUTICALS, INC. 2009-05-21 — — 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 (3 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-20090131363-A1 Deuterated darunavir SAMHD1, DUT, DNPEP SPPL2A 3627/4885MLNR 3855/4885ABCB11 170/4885
US-20110257111-A1 Hydroxyethlamino Sulfonamide Derivatives HTRA1, PRSS8, PRSS1 SPPL2A 1522/4885MLNR 3977/4885ABCB11 635/4885
US-20100113589-A1 Deuterated darunavir SAMHD1, DUT, DNPEP SPPL2A 3627/4885MLNR 3855/4885ABCB11 170/4885

“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.