SCHEMBL9964431

SCHEMBL9964431

Cc1nc(OCCCS(C)(=O)=O)ccc1-c1cccc2c1CC[C@H]2Oc1ccc(-c2cc(O)n[s+]2[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.34
FFAR1 O14842 2/20 0.33
PDCD1 Q15116 5/20 0.32
CD274 Q9NZQ7 5/20 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
SCHEMBL9964429 0.88 ESR1 (0.34) FFAR1PDCD1CD274
SCHEMBL9964449 0.87 FFAR1 (0.34) FFAR1PDCD1CD274
SCHEMBL9964435 0.86 FFAR1 (0.38) MCHR1FFAR1
SCHEMBL9964438 0.86 CD274 (0.38) FFAR1PDCD1CD274
SCHEMBL9964424 0.82 CD274 (0.33) FFAR1PDCD1CD274
SCHEMBL15485269 0.82 MCHR1 (0.32) MCHR1FFAR1PDCD1CD274
SCHEMBL9964357 0.80 CD274 (0.36) FFAR1PDCD1CD274
SCHEMBL15491865 0.80 MCHR1 (0.32) MCHR1FFAR1PDCD1CD274
SCHEMBL17109906 0.79 MCHR1 (0.32) MCHR1FFAR1
SCHEMBL9964421 0.78 PDCD1 (0.43) 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 MCHR1 455/4885FFAR1 39/4885PDCD1 4644/4885

“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.