SCHEMBL9964484

SCHEMBL9964484

Cc1nc(OC[C@H]2COC(C)(C)O2)ccc1-c1cccc(COc2ccc(B3OC(=O)CN(C)CC(=O)O3)cc2)c1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.33
PDCD1 Q15116 5/20 0.33
CD274 Q9NZQ7 5/20 0.33
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 2/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL9964489 1.00 MAPK14 (0.33) MAPK14PDCD1CD274GPR84FFAR1
SCHEMBL9964487 0.88 FFAR1 (0.34) MAPK14CD274FFAR1LMNAHTT
SCHEMBL9964482 0.85 MAPK14 (0.36) MAPK14CD274FFAR1LMNAHTT
SCHEMBL9964488 0.81 MAPK14 (0.35) MAPK14FFAR1
SCHEMBL9964457 0.81 CD274 (0.34) PDCD1CD274FFAR1LMNA
SCHEMBL9964459 0.80 FFAR1 (0.34) PDCD1CD274FFAR1
SCHEMBL9967031 0.79 CD274 (0.44) PDCD1CD274
SCHEMBL9964485 0.79 CD274 (0.33) PDCD1CD274FFAR1
SCHEMBL15080634 0.78 CD274 (0.34) PDCD1CD274FFAR1
SCHEMBL9964477 0.78 CD274 (0.44) PDCD1CD274

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 MAPK14 772/4885PDCD1 4644/4885CD274 4376/4885

“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.