SCHEMBL5400367

SCHEMBL5400367

CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)C(C)(C)C(N)=O)S(=O)(=O)NC(C)(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.40
MLNR O43193 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
CTSD P07339 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
CNR1 P21554 1/20 0.39
TBXAS1 P24557 1/20 0.39
ADRA1A P35348 1/20 0.39
PSEN1 P49768 5/20 0.38
PSEN2 P49810 5/20 0.38
APH1B Q8WW43 5/20 0.38
NCSTN Q92542 5/20 0.38
APH1A Q96BI3 5/20 0.38
PSENEN Q9NZ42 5/20 0.38
BCHE P06276 1/20 0.37
ABCB1 P08183 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37

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
SCHEMBL5397301 0.87 MLNR (0.47) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL6500680 0.84 CTSD (0.40) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL9123183 0.82 SPPL2A (0.49) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL5389293 0.82 PSEN1 (0.39) SPPL2AMLNRABCB11CTSDPSEN1
SCHEMBL7670354 0.80 SPPL2A (0.37) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL8564599 0.79 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9121380 0.78 SPPL2A (0.48) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL8260637 0.77 CTSD (0.40) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL8842365 0.77 SPPL2A (0.49) SPPL2A
SCHEMBL9119249 0.77 SPPL2A (0.49) SPPL2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002542-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-01-01 US claimed
US-6515024-B2 For therapy of retroviral infection, e.g., an HIV infection G. D. SEARLE & CO. 2003-02-04 US claimed
US-20020198378-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. 2002-12-26 US claimed
US-7199158-B2 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-03 US disclosed
US-20060020009-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-01-26 US disclosed
US-6951886-B2 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-10-04 US disclosed
US-20040002542-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-01-01 US disclosed
US-6515024-B2 For therapy of retroviral infection, e.g., an HIV infection G. D. SEARLE & CO. 2003-02-04 US disclosed
US-20020198378-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. 2002-12-26 US disclosed
US-6337398-B1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. 2002-01-08 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-20060020009-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors HAT1, UBXN4, PRSS1 SPPL2A 922/4885MLNR 2114/4885ABCB11 3595/4885
US-20020198378-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors SUMO1, CHUK, SENP1 SPPL2A 212/4885MLNR 3166/4885ABCB11 3973/4885
US-20040002542-A1 Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors SUMO1, CHUK, SENP1 SPPL2A 212/4885MLNR 3166/4885ABCB11 3973/4885

“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.