SCHEMBL9964447

SCHEMBL9964447

Cc1cc(OCCC(C)(C)CO)ncc1-c1cccc(CO)c1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.39
PDCD1 Q15116 3/20 0.39
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
DGAT1 O75907 8/20 0.32
SCN9A Q15858 2/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32

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
SCHEMBL9935404 0.90 CD274 (0.40) CD274PDCD1S1PR1S1PR3DGAT1
SCHEMBL9964445 0.78 CD274 (0.34) CD274PDCD1
SCHEMBL9933707 0.72 CD274 (0.38) CD274PDCD1S1PR1S1PR3
SCHEMBL13117512 0.71 VDR (0.44) CD274PDCD1S1PR1S1PR3
SCHEMBL12577844 0.71 CD274 (0.41) CD274PDCD1
SCHEMBL12004396 0.71 CD274 (0.41) CD274PDCD1S1PR1S1PR3
SCHEMBL12577725 0.70 PDCD1 (0.36) CD274PDCD1SCN9AKCNH2SCN5A
SCHEMBL12019247 0.70 TDP1 (0.41) CD274
SCHEMBL9964446 0.70 CD274 (0.40) CD274PDCD1S1PR1S1PR3DGAT1
SCHEMBL2022751 0.70 CD274 (0.40) CD274PDCD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 CD274 4376/4885PDCD1 4644/4885S1PR1 1224/4885

“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.