SCHEMBL9935190

SCHEMBL9935190

NC(=O)C#Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.65
PARP10 Q53GL7 1/20 0.62
PTPN1 P18031 1/20 0.58
PTPN6 P29350 1/20 0.58
PTPN11 Q06124 1/20 0.58
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAOB P27338 3/20 0.54
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53

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
SCHEMBL5152185 0.87 FFAR1 (0.83) FFAR1PARP10PTPN1PTPN6PTPN11
SCHEMBL9933192 0.87 FFAR1 (0.81) FFAR1FFAR4
SCHEMBL5038595 0.83 FFAR1 (0.68) FFAR1PARP10NR4A2MAOBMAOA
SCHEMBL9073643 0.83 FFAR1 (0.63) FFAR1PARP10PTPN1PTPN6PTPN11
SCHEMBL9202331 0.82 FFAR1 (0.62) FFAR1PARP10PTPN1PTPN6PTPN11
SCHEMBL14786201 0.81 MAOB (0.71) FFAR1PARP10PTPN1PTPN6PTPN11
SCHEMBL5947379 0.81 FFAR1 (0.88) FFAR1PTPN1PTPN6PTPN11NR4A1
SCHEMBL9934062 0.80 FFAR1 (0.59) FFAR1PARP10PTPN1PTPN6PTPN11
SCHEMBL28284959 0.80 FFAR1 (0.85) FFAR1PTPN1PTPN6PTPN11NR4A1
SCHEMBL9934278 0.79 FFAR1 (0.83) FFAR1FFAR4

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 6 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-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 39/4885PARP10 1690/4885PTPN1 669/4885

“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.