SCHEMBL9935614

SCHEMBL9935614

Oc1ccc(-c2cc(O)ns2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.48
ESR2 Q92731 5/20 0.48
APP P05067 3/20 0.48
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B1 P14061 5/20 0.42
HSD17B2 P37059 5/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5153261 0.83 HSD17B1 (0.44) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL27741806 0.67 ESR1 (0.50) ESR1ESR2APPHDAC3HDAC4
SCHEMBL1181642 0.66 APP (1.00) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL9133922 0.65 MAPT (0.60) ESR1ESR2APPHDAC3HDAC4
SCHEMBL4778599 0.64 APP (0.94) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL15380796 0.64 APP (0.94) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL5571157 0.64 HSD17B1 (0.60) ESR1ESR2APPHDAC3HDAC4
SCHEMBL6292004 0.63 ESR1 (1.00) ESR1ESR2APPMEN1KMT2A
SCHEMBL30826784 0.63 ESR1 (1.00) ESR1ESR2APPMEN1KMT2A
SCHEMBL15632 0.63 ESR1 (1.00) ESR1ESR2APPMEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710381-A Novel 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARM CO LTD 2015-06-17 CN disclosed
CN-102712610-B Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2015-03-04 CN disclosed
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-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
CN-102712610-A Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2012-10-03 CN 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
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 ESR1 274/4885ESR2 299/4885APP 2605/4885

“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.