SCHEMBL9964435

SCHEMBL9964435

Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(-c2cc(O)n[s+]2[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
GNA15 P30679 1/20 0.36
SLC10A1 Q14973 1/20 0.36
ABCC2 Q92887 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
MCHR1 Q99705 2/20 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
SCHEMBL9964436 0.87 FFAR1 (0.36) FFAR1
SCHEMBL9964433 0.87 FFAR1 (0.45) FFAR1CYP2C8CYP2C9
SCHEMBL9964431 0.86 MCHR1 (0.34) FFAR1MCHR1
SCHEMBL9964420 0.85 DRD2 (0.35) FFAR1
SCHEMBL9964414 0.85 FFAR1 (0.38) FFAR1
SCHEMBL15485108 0.82 FFAR1 (0.37) FFAR1CYP2C8CYP2C9GNA15SLC10A1
SCHEMBL9964424 0.79 CD274 (0.33) FFAR1
SCHEMBL9964361 0.79 FFAR1 (0.46) FFAR1GNA15SLC10A1ABCC2SLCO1B3
SCHEMBL9964452 0.79 FFAR1 (0.45) FFAR1
SCHEMBL1688209 0.78 FFAR1 (0.35) FFAR1CYP2C8CYP2C9GNA15SLC10A1

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 5 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
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP 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 39/4885CYP2C8 2709/4885CYP2C9 3745/4885

“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.