SCHEMBL21822261

SCHEMBL21822261

COC(=O)c1cc(S(=O)(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PLIN1 O60240 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PLIN5 Q00G26 1/20 0.37

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
SCHEMBL25017661 0.82 NQO2 (0.37) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL21822187 0.81 KDM4E (0.43) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL25017662 0.80 NQO2 (0.35) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL21822221 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL21822146 0.77 CA2 (0.53) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL7837993 0.76 KDM4E (0.50) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL21822300 0.76 KDM4E (0.50) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL9413713 0.73 KDM4E (0.47) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL17159202 0.72 KDM4E (0.44) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL17159204 0.72 KDM4E (0.44) ALDH1A1KDM4EHPGDNPSR1KMT2A

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
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 — — US disclosed
EP-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 — — EP disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 — — WO 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-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 ALDH1A1 3877/4885KDM4E 1948/4885HPGD 1516/4885

“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.

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