SCHEMBL9964477

SCHEMBL9964477

Cc1nc(OCCN2CCCC2=O)ccc1-c1cccc(COc2ccc(B3OC(=O)CN(C)CC(=O)O3)cc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 12/20 0.44
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PDK2 Q15119 3/20 0.35
PDCD1 Q15116 4/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
CTSS P25774 1/20 0.32
PDCD1LG2 Q9BQ51 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
SCHEMBL9964469 0.96 CD274 (0.47) CD274MTNR1AMTNR1BPDK2PDCD1
SCHEMBL9964459 0.85 FFAR1 (0.34) CD274PDCD1
SCHEMBL9964457 0.85 CD274 (0.34) CD274PDCD1
SCHEMBL9964480 0.84 CD274 (0.46) CD274MTNR1AMTNR1BPDK2POLB
SCHEMBL9964471 0.84 CD274 (0.48) CD274MTNR1AMTNR1BPDK2MEN1
SCHEMBL9964485 0.83 CD274 (0.33) CD274PDCD1
SCHEMBL9967031 0.82 CD274 (0.44) CD274PDCD1
SCHEMBL15080634 0.81 CD274 (0.34) CD274PDCD1
SCHEMBL9964472 0.80 CD274 (0.49) CD274MTNR1AMTNR1BPDK2POLB
SCHEMBL9964490 0.80 PDCD1 (0.31) 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 4376/4885MTNR1A 318/4885MTNR1B 509/4885

“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.