Sugi Predict

Sugi Predict / Compounds / SCHEMBL9935517

SCHEMBL9935517

SCHEMBL9935517

CC1=CN=Cc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 6/20 0.47
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL9933270 0.72 TRPA1 (0.43) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL9934214 0.72 TRPA1 (0.43) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL30616800 0.71 TRPA1 (0.42) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL7377318 0.71 TRPA1 (0.49) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL25341094 0.70 TRPA1 (0.39) TRPA1LMNAMAPTKDM4EMEN1
SCHEMBL10371050 0.70 TRPA1 (0.38) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL10499941 0.68 TRPA1 (0.40) TRPA1
SCHEMBL28396211 0.68 TRPA1 (0.40) TRPA1
SCHEMBL16306317 0.68 TRPA1 (0.57) TRPA1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8205906 0.67 TRPA1 (0.42) TRPA1LMNAMAPTSMN1; SMN2KDM4E

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 — — EP disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 — — EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 — — US disclosed
US-9808445-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 — — US disclosed
EP-3131896-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 — — EP disclosed
EP-3131897-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 — — EP disclosed
US-20170027916-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 — — US disclosed
WO-2015160636-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 — — WO disclosed
WO-2015160634-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 — — WO disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 — — US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 — — US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 — — US disclosed
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
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 — — 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 (8 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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI TRPA1 2371/4885LMNA 89/4885MAPT 3891/4885
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 TRPA1 118/4885LMNA 4376/4885MAPT 4499/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 TRPA1 118/4885LMNA 4376/4885MAPT 4499/4885
US-20170027916-A1 FACTOR IXa INHIBITORS F9, F12, TFPI TRPA1 2371/4885LMNA 89/4885MAPT 3891/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 TRPA1 273/4885LMNA 4218/4885MAPT 4385/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 TRPA1 379/4885LMNA 4435/4885MAPT 4698/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 TRPA1 118/4885LMNA 4370/4885MAPT 4502/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 TRPA1 788/4885LMNA 3857/4885MAPT 4683/4885

“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.