SCHEMBL7419618

SCHEMBL7419618

CCOc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.67
ADAMTS4 O75173 1/20 0.53
MMP2 P08253 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 1/20 0.53
ADAMTS5 Q9UNA0 1/20 0.53
CNR2 P34972 1/20 0.51
THRB P10828 1/20 0.48
MLNR O43193 1/20 0.48
ABCB11 O95342 1/20 0.48
LMNA P02545 1/20 0.48
CTSD P07339 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP3A5 P20815 1/20 0.48
CNR1 P21554 1/20 0.48
TBXAS1 P24557 1/20 0.48
ADRA1A P35348 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48

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
SCHEMBL1058892 0.92 SPPL2A (0.67) SPPL2AADAMTS4MMP2MMP13MMP14
SCHEMBL14602719 0.89 SPPL2A (0.69) SPPL2A
SCHEMBL1058690 0.89 SPPL2A (0.69) SPPL2A
SCHEMBL7905239 0.89 SPPL2A (0.69) SPPL2A
SCHEMBL4373559 0.88 SPPL2A (0.76) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL4911140 0.88 SPPL2A (0.76) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL13174129 0.87 SPPL2A (0.61) SPPL2AADAMTS4MMP2MMP13MMP14
SCHEMBL5945539 0.87 SPPL2A (0.61) SPPL2AADAMTS4MMP2MMP13MMP14
SCHEMBL23129692 0.87 SPPL2A (0.74) SPPL2AMLNRABCB11LMNACTSD
SCHEMBL9605440 0.87 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861249-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 EP disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed