SCHEMBL3469606

SCHEMBL3469606

CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O)S(=O)(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 2/20 0.59
MLNR O43193 1/20 0.49
ABCB11 O95342 1/20 0.49
LMNA P02545 1/20 0.49
CTSD P07339 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP3A5 P20815 1/20 0.49
CNR1 P21554 1/20 0.49
TBXAS1 P24557 1/20 0.49
ADRA1A P35348 1/20 0.49
ADAMTS4 O75173 1/20 0.45
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
ABCB1 P08183 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45

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
SCHEMBL2903819 1.00 SPPL2A (0.59) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2903818 1.00 SPPL2A (0.59) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2912506 0.89 SPPL2A (0.64) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2912508 0.89 SPPL2A (0.64) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2906313 0.87 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2906306 0.87 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2906310 0.87 SPPL2A (0.57) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2910537 0.86 SPPL2A (0.65) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2910534 0.86 SPPL2A (0.65) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL2910535 0.86 SPPL2A (0.65) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
EP-2264032-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBVIE INC (US) 2013-08-07 EP disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
EP-2216334-B1 HIV protease inhibiting sulfonamides ABBOTT LAB (US) 2012-10-31 EP disclosed
EP-2264032-A2 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-12-22 EP disclosed
EP-1709037-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LAB (US) 2009-12-23 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-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP SPPL2A 1106/4885MLNR 3723/4885ABCB11 2264/4885

“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.