SCHEMBL12857451

SCHEMBL12857451

CC(C)c1nc(C(=O)O)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 7/20 0.45
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ACMSD Q8TDX5 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL27416713 0.80 CNR2 (0.40) KDM4EL3MBTL1
SCHEMBL12870164 0.77 KDM4E (0.51) XDHKDM4EALOX15TSHRACMSD
SCHEMBL1143130 0.76 MAPT (0.46) XDHKDM4ETSHRTDP1
SCHEMBL1146103 0.76 XDH (0.54) XDH
SCHEMBL1143188 0.76 ALDH1A1 (0.43) XDHKDM4EALOX15TSHRACMSD
SCHEMBL19913925 0.75 KDM4E (0.44) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1142900 0.74 KDM4E (0.42) XDHKDM4EALOX15TSHRACMSD
SCHEMBL19913924 0.74 KDM4E (0.42) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL8511267 0.74 KDM4E (0.42) XDHKDM4EALOX15TSHRACMSD
SCHEMBL19919699 0.74 KDM4E (0.42) KDM4EALOX15TSHRACMSDTDP1

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-9340505-B2 Type III secretion inhibitors, analogs and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2016-05-17 — — US disclosed
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-10-30 — — US disclosed
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US 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 (2 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-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 XDH 1715/4885KDM4E 4541/4885ALOX15 3540/4885
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 XDH 1715/4885KDM4E 4541/4885ALOX15 3540/4885

“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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