SCHEMBL9503221

SCHEMBL9503221

COC(=O)[C@H]1C[C@@H](OS(C)(=O)=O)CN1S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.56
ANPEP P15144 3/20 0.56
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.46
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL14561134 1.00 MMP2 (0.56) MMP2ANPEPALDH1A1KMT2AMMP1
SCHEMBL9503995 1.00 MMP2 (0.56) MMP2ANPEPALDH1A1KMT2AMMP1
SCHEMBL5397377 0.89 CA12 (0.47) MMP2ANPEPALDH1A1KMT2AMMP1
SCHEMBL5397387 0.89 CA12 (0.47) MMP2ANPEPALDH1A1KMT2AMMP1
SCHEMBL5397381 0.89 CA12 (0.47) MMP2ANPEPALDH1A1KMT2AMMP1
SCHEMBL7142526 0.87 MME (0.46) MMP2ANPEPALDH1A1KMT2A
SCHEMBL7152576 0.87 MME (0.46) MMP2ANPEPALDH1A1KMT2A
SCHEMBL9505317 0.85 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AMMP1
SCHEMBL5418223 0.85 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AMMP1
SCHEMBL17833288 0.85 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289911-B1 PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
US-4916152-A THROMBOXANE A2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 US disclosed
EP-0289911-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-09 EP disclosed