Sugi Predict

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SCHEMBL830228

SCHEMBL830228

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(N)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPPL2A Q8TCT8 4/20 0.56
▸ PSEN1 P49768 2/20 0.48
▸ PSEN2 P49810 2/20 0.48
▸ APH1B Q8WW43 2/20 0.48
▸ NCSTN Q92542 2/20 0.48
▸ APH1A Q96BI3 2/20 0.48
▸ PSENEN Q9NZ42 2/20 0.48
▸ RORC P51449 10/20 0.46
▸ MLNR O43193 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CTSD P07339 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP3A5 P20815 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ TBXAS1 P24557 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ABCB1 P08183 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41

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
SCHEMBL14489586 0.92 SPPL2A (0.55) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL831086 0.90 SPPL2A (0.52) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL830219 0.89 SPPL2A (0.52) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL6872886 0.84 SPPL2A (0.49) SPPL2ARORCTAS2R14
SCHEMBL829992 0.83 SPPL2A (0.49) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL829993 0.83 SPPL2A (0.49) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL4911572 0.83 ALDH1A1 (0.53) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL4906010 0.83 ALDH1A1 (0.53) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL830381 0.82 SPPL2A (0.46) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL7238589 0.82 SPPL2A (0.50) SPPL2APSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143421-B2 Broadspectrum substituted benzimidazole sulfonamide HIV protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-03-27 — — US disclosed
EP-1485358-B1 BROADSPECTRUM SUBSTITUTED BENZIMIDAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARM LTD (IE) 2011-02-02 — — EP disclosed
US-20090203743-A1 SMALL MOLECULE ENTRY INHIBITORS SURLERAUX DOMINIQUE LOUIS 2009-08-13 — — US disclosed
US-20050171175-A1 Broadspectrum substituted benzimidazole sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD (IE) 2005-08-04 — — US disclosed
EP-1485358-A1 BROADSPECTRUM SUBSTITUTED BENZIMIDAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2004-12-15 — — EP disclosed
WO-2003076413-A1 BROADSPECTRUM SUBSTITUTED BENZIMIDAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD (IE) 2003-09-18 — — WO 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 (2 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-20090203743-A1 SMALL MOLECULE ENTRY INHIBITORS NR0B1, LTC4S, LTB4R SPPL2A 2682/4885PSEN1 2725/4885PSEN2 3097/4885
US-20050171175-A1 Broadspectrum substituted benzimidazole sulfonamide hiv protease inhibitors CYP2S1, CYP2C8, PRSS8 SPPL2A 1494/4885PSEN1 1365/4885PSEN2 1844/4885

“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.