SCHEMBL30360302

SCHEMBL30360302

CCCNC(=O)Nc1cccc(S(=O)(=O)c2cccc(C(C)C(=O)O)c2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 6/20 0.45
CASR P41180 1/20 0.45
ITGB3 P05106 7/20 0.45
ITGAV P06756 7/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL8534236 0.71 CA1 (0.40) MAPTCA12CA1CA2CA9
SCHEMBL8684279 0.69 MAPT (0.70) MAPTITGB3ITGAVSMN1; SMN2
SCHEMBL8534686 0.69 FEN1 (0.44) MAPTCA12CA1CA2CA9
SCHEMBL30153520 0.68 MMP2 (0.49) ITGAVPTGS2MMP1MMP2MMP9
SCHEMBL31027970 0.68 MMP2 (0.49) ITGAVPTGS2MMP1MMP2MMP9
SCHEMBL27725613 0.68 MMP2 (0.49) MAPTLMNASMN1; SMN2PTGS2MMP1
SCHEMBL23795533 0.67 MAPT (0.50) MAPTCA12CA1CA2CA9
SCHEMBL14186058 0.67 MAPT (0.50) MAPTCA12CA1CA2CA9
SCHEMBL8532235 0.67 CA1 (0.40) MAPTCA12CA1CA2CA9
SCHEMBL8532987 0.67 ITGB3 (0.38) MAPTCA12CA1CA2CA9

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-4412655-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER Vincerx Pharma GmbH (DE) 2024-08-14 EP disclosed
WO-2023057812-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER VINCERX PHARMA GMBH (DE) 2023-04-13 WO disclosed