SCHEMBL6574954

SCHEMBL6574954

NC(=O)C#Cc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.52
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA3 P07451 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA6 P23280 2/20 0.41
PEPD P12955 1/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
MMP3 P08254 1/20 0.37
CA1 P00915 2/20 0.36
TYR P14679 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 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
SCHEMBL6774688 0.80 NPC1 (0.42) CA2LMNAMAPTHTTCA1
SCHEMBL6781061 0.80 VCP (0.52) CA2CA12CA9LMNACA1
SCHEMBL6776577 0.80 APP (0.49) APPCA2CA1NPC1RAB9A
SCHEMBL21066942 0.80 GPR183 (0.40) CA2LMNACA1KDM4EMEN1
SCHEMBL3696839 0.79 NPSR1 (0.55) APPMAPTHTTNPC1RAB9A
SCHEMBL6653836 0.79 APP (0.53) APPCA2CA12CA3CA9
SCHEMBL30940455 0.77 APP (0.52) APPCA2CA12CA3CA9
Potassium SCHEMBL30940461 0.77 APP (0.52) APPCA2CA12CA3CA9
Lithium SCHEMBL30940463 0.77 APP (0.52) APPCA2CA12CA3CA9
Anemarchalconyn SCHEMBL775177 0.76 APP (0.82) APPMAPTESR1ESR2MEN1

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-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP claimed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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 (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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 APP 2605/4885CA2 3296/4885CA12 4764/4885

“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.