SCHEMBL1143130

SCHEMBL1143130

CC(C)Sc1nc(C(=O)O)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ XDH P47989 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ NOS2 P35228 2/20 0.40
▸ AR P10275 2/20 0.37
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36

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
SCHEMBL27416021 0.83 L3MBTL1 (0.43) MAPTTDP1TSHRMAPK1XDH
SCHEMBL30973939 0.83 L3MBTL1 (0.43) MAPTTDP1TSHRMAPK1XDH
SCHEMBL15774803 0.76 KDM4E (0.38) MAPTTDP1TSHRKDM4ELMNA
SCHEMBL12857451 0.76 XDH (0.45) TDP1TSHRXDHKDM4E
SCHEMBL12857758 0.74 KDM4E (0.36) MAPTTDP1TSHRKDM4ELMNA
SCHEMBL12870186 0.74 TERT (0.51) MAPTTDP1TSHRMAPK1XDH
SCHEMBL12870164 0.74 KDM4E (0.51) MAPTTDP1TSHRXDHKDM4E
SCHEMBL1146103 0.73 XDH (0.54) XDHLMNA
SCHEMBL1143188 0.73 ALDH1A1 (0.43) TDP1TSHRXDHKDM4EALDH1A1
SCHEMBL1143301 0.72 L3MBTL1 (0.60) MAPTTDP1TSHRMAPK1KDM4E

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 7 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-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-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-10-30 — — US disclosed
US-8716283-B2 Type III secretion inhibitors, analogs and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2014-05-06 — — 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
WO-2009145829-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2009-12-03 — — 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 (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 MAPT 3404/4885TDP1 3403/4885TSHR 1702/4885
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 MAPT 3404/4885TDP1 3403/4885TSHR 1702/4885

“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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