SCHEMBL9006094

SCHEMBL9006094

COC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 3/20 0.49
▸ NR1H2 P55055 7/20 0.49
▸ MMP2 P08253 2/20 0.48
▸ NR1H3 Q13133 2/20 0.44
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ P2RX3 P56373 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HSD11B1 P28845 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
SCHEMBL9503295 0.91 NR1H2 (0.48) NR1H2MMP2NR1H3MMP1MMP3
SCHEMBL9506978 0.91 STS (0.50) STSNR1H2MMP2NR1H3MMP1
SCHEMBL13106876 0.91 NR1H2 (0.48) NR1H2MMP2NR1H3MMP1MMP3
SCHEMBL9503339 0.90 MMP1 (0.55) STSNR1H2MMP2NR1H3MMP1
SCHEMBL9506253 0.89 NR1H2 (0.50) NR1H2MMP2NR1H3MCL1CA12
SCHEMBL9507059 0.89 NR1H2 (0.50) NR1H2MMP2NR1H3MCL1CA12
SCHEMBL9505085 0.88 NR1H2 (0.50) STSNR1H2MMP2NR1H3MMP1
SCHEMBL30638141 0.87 MMP2 (0.52) NR1H2MMP2NR1H3MMP1MMP3
SCHEMBL9006196 0.83 STS (0.52) STSNR1H2MCL1TBXA2RHDAC8
SCHEMBL10704425 0.82 MMP2 (0.45) MMP2MMP1MMP3MMP7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367130-B1 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 — — EP disclosed
US-5514701-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 — — US disclosed
US-5264453-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 — — US disclosed
EP-0289911-B1 PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 — — EP disclosed
US-5130323-A PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-14 — — US disclosed
EP-0367130-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-09 — — 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
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