SCHEMBL9936064

SCHEMBL9936064

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.35
PLA2G2A P14555 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL9934026 0.94 LMNA (0.36) MEN1KMT2ATSHRLMNAMAPT
SCHEMBL9933864 0.85 KDM4E (0.39) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL9934766 0.85 PDK2 (0.37) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL9935358 0.81 HTR1B (0.37) TDP1L3MBTL1KDM4EHTR2B
SCHEMBL9935540 0.81 TUBB1 (0.33) ALDH1A1TDP1L3MBTL1
SCHEMBL9933494 0.80 CCNC (0.38) TSHRALDH1A1LMNAKDM4ETHRA
SCHEMBL9934233 0.80 LMNA (0.38) MEN1KMT2ALMNAMAPTPDK2
SCHEMBL9934570 0.80 IDO1 (0.34) ALDH1A1NR1I2
SCHEMBL9933976 0.79 L3MBTL1 (0.48) TSHRALDH1A1L3MBTL1KDM4EALOX15
SCHEMBL9935699 0.78 PDIA6 (0.31)

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 MEN1 3552/4885KMT2A 3600/4885TSHR 409/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MEN1 3735/4885KMT2A 3915/4885TSHR 446/4885

“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.