SCHEMBL9964375

SCHEMBL9964375

Cc1cc(OCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(-c3cc(O)n[s+]3[O-])cc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.45
FFAR1 O14842 3/20 0.43
POLB P06746 1/20 0.39
PDK2 Q15119 9/20 0.39
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL9964365 0.96 CD274 (0.48) CD274FFAR1POLBPDK2MTNR1A
SCHEMBL9964368 0.87 CD274 (0.45) CD274FFAR1PDK2MTNR1AMTNR1B
SCHEMBL9964369 0.87 FFAR1 (0.55) FFAR1POLB
SCHEMBL9964370 0.86 CD274 (0.44) CD274FFAR1POLBPDK2MTNR1A
SCHEMBL9964371 0.86 CD274 (0.47) CD274FFAR1POLBPDK2MTNR1A
SCHEMBL9964379 0.84 FFAR1 (0.41) CD274FFAR1
SCHEMBL9964364 0.83 FFAR1 (0.60) CD274FFAR1
SCHEMBL9964367 0.83 CD274 (0.47) CD274FFAR1PDK2MTNR1AMTNR1B
SCHEMBL9964374 0.83 FFAR1 (0.40) CD274FFAR1
SCHEMBL9964361 0.82 FFAR1 (0.46) CD274FFAR1

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 4376/4885FFAR1 39/4885POLB 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.