SCHEMBL9964408

SCHEMBL9964408

Cc1c(Br)cccc1COc1ccc(-c2cc(O)n[s+]2[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.35
ANO1 Q5XXA6 2/20 0.34
FFAR1 O14842 5/20 0.33
FFAR4 Q5NUL3 2/20 0.33
PTGER4 P35408 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
KMT2A Q03164 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
POLB P06746 1/20 0.32
MIF P14174 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
NMT1 P30419 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL9964403 0.80 SLC22A12 (0.39) FFAR1KMT2A
SCHEMBL9964404 0.80 IDO1 (0.38) KMT2AMAOB
SCHEMBL9964379 0.79 FFAR1 (0.41) FFAR1CD274
SCHEMBL9964416 0.78 MAOB (0.49) PARP10FFAR1FFAR4MAOB
SCHEMBL9964374 0.78 FFAR1 (0.40) FFAR1CD274
SCHEMBL9964381 0.78 FFAR1 (0.39) FFAR1FFAR4CD274
SCHEMBL9935318 0.77 FFAR1 (0.40) FFAR1FFAR4PTGER4CD274KMT2A
SCHEMBL9964380 0.77 CD274 (0.36) FFAR1CD274
SCHEMBL9964354 0.76 FFAR1 (0.42) FFAR1CD274
SCHEMBL9934492 0.76 LMNA (0.51) KMT2APOLBMAOB

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
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
WO-2011078371-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE 持田製薬株式会社 (JP) 2011-06-30 WO 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 PARP10 1690/4885ANO1 1280/4885FFAR1 39/4885

“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.