SCHEMBL12857758

SCHEMBL12857758

[C-]#[N+]c1ccc(C(=O)O)nc1SC(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MGAM O43451 1/20 0.34
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ECE1 P42892 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL15774803 0.78 KDM4E (0.38) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL12858077 0.75 KDM4E (0.51) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL1143130 0.74 MAPT (0.46) KDM4ETDP1TSHRMAPTKMT2A
SCHEMBL12858096 0.74 HCAR3 (0.36) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL12858012 0.74 HAO1 (0.46) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL12857837 0.74 PPARG (0.47) L3MBTL1MGAMLMNAALDH1A1
SCHEMBL12857773 0.74 SMN1; SMN2 (0.48) KDM4EL3MBTL1MAPTRAB9AKMT2A
SCHEMBL12858084 0.73 KMT2A (0.40) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL12857756 0.71 KDM4E (0.42) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL12858010 0.71 FFAR1 (0.46) TDP1L3MBTL1MAPTRAB9AKMT2A

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 KDM4E 4541/4885TDP1 3403/4885ALOX15 3540/4885
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 KDM4E 4541/4885TDP1 3403/4885ALOX15 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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