SCHEMBL9934026

SCHEMBL9934026

Cc1[c]ccc(OCCC(N)=O)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PDK2 Q15119 1/20 0.32
TSHR P16473 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LTA4H P09960 1/20 0.30
HTT P42858 1/20 0.30
NR1I2 O75469 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL9936064 0.94 MEN1 (0.38) LMNAMEN1KMT2APDK2TSHR
SCHEMBL9933494 0.83 CCNC (0.38) LMNAPDK2TSHRSMN1; SMN2LTA4H
SCHEMBL9934233 0.83 LMNA (0.38) LMNAMEN1KMT2APDK2MAPT
SCHEMBL9934570 0.80 IDO1 (0.34) NR1I2
SCHEMBL9933864 0.79 KDM4E (0.39) LMNAMEN1KMT2APDK2TSHR
SCHEMBL9934766 0.79 PDK2 (0.37) LMNAPDK2TSHRL3MBTL1SMN1; SMN2
SCHEMBL9935540 0.78 TUBB1 (0.33) L3MBTL1
SCHEMBL9935358 0.78 HTR1B (0.37) L3MBTL1HTR2B
SCHEMBL9934154 0.78 LMNA (0.31) LMNAHTT
SCHEMBL9934644 0.77 MTNR1A (0.50) KMT2ATSHRL3MBTL1SMN1; SMN2

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-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 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 (2 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 LMNA 4218/4885MEN1 3552/4885KMT2A 3600/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 LMNA 4435/4885MEN1 3735/4885KMT2A 3915/4885

“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.