SCHEMBL9964474

SCHEMBL9964474

Cc1cc(OCCN2CCCC2=O)nc(C)c1-c1cccc(COc2ccc(B3OC(=O)CN(C)CC(=O)O3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.45
CD274 Q9NZQ7 2/20 0.35
POLB P06746 1/20 0.35
TNK2 Q07912 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33

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
SCHEMBL9964468 0.96 FFAR1 (0.49) FFAR1CD274MEN1KMT2A
SCHEMBL9964479 0.90 FFAR1 (0.55) FFAR1POLB
SCHEMBL9964462 0.86 FFAR1 (0.49) FFAR1
SCHEMBL9964455 0.86 FFAR1 (0.46) FFAR1
SCHEMBL1688177 0.84 FFAR1 (0.38) FFAR1
SCHEMBL9964486 0.84 FFAR1 (0.35) FFAR1
SCHEMBL15494702 0.84 FFAR1 (0.35) FFAR1
SCHEMBL15160163 0.82 FFAR1 (0.46) FFAR1CD274POLBMEN1KMT2A
SCHEMBL17117626 0.80 FFAR1 (0.45) FFAR1CD274POLBMEN1KMT2A
SCHEMBL15158658 0.80 FFAR1 (0.45) FFAR1CD274POLBMEN1KMT2A

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 FFAR1 39/4885CD274 4376/4885POLB 4698/4885

“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.