Sugi Predict

Sugi Predict / Compounds / SCHEMBL1001323

SCHEMBL1001323

SCHEMBL1001323

O=S(=O)(Oc1coc(-c2ccc(F)c(F)c2)n1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.36
▸ PDE4C Q08493 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ PTGS2 P35354 3/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ STS P08842 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA5 P30532 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KMO O15229 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ ADRB2 P07550 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ MPL P40238 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
SCHEMBL1000966 0.89 PDE4A (0.36) PDE4APDE4CPDE4DPTGS2PTGS1
SCHEMBL1000253 0.89 PDE4A (0.39) PDE4APDE4CPDE4DPTGS2PTGS1
SCHEMBL68227 0.85 HDAC1 (0.43) HDAC6
SCHEMBL1001250 0.84 HDAC1 (0.42) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL1003043 0.83 PDE4B (0.42) PDE4APDE4CPDE4DPTGS2HDAC6
SCHEMBL1002474 0.82 PDE4A (0.33) PDE4APDE4CPDE4DCA1CA2
SCHEMBL84528 0.82 ALDH1A1 (0.42) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL3707228 0.82 ALDH1A1 (0.42) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL1001455 0.81 PDE4A (0.31) PDE4APDE4CPDE4DCA1CA2
SCHEMBL1004940 0.81 HDAC1 (0.42) HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045467-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2015-06-02 — — US disclosed
US-9045467-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2015-06-02 — — US disclosed
US-9045467-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2015-06-02 — — US disclosed
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2014-06-19 — — US disclosed
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2014-06-19 — — US disclosed
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2014-06-19 — — US disclosed
EP-2321288-B1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2014-03-19 — — EP disclosed
US-8673941-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8673941-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8673941-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 — — US disclosed
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 — — US disclosed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 — — US disclosed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 — — US disclosed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 — — US disclosed
EP-2321288-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH Merck & Co., Inc. (US) 2011-05-18 — — EP disclosed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 — — US disclosed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 — — US disclosed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 — — US disclosed
WO-2010017079-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2010-02-11 — — 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 (4 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-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 PDE4A 987/4885PDE4C 1379/4885PDE4D 1156/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 PDE4A 987/4885PDE4C 1379/4885PDE4D 1156/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 PDE4A 855/4885PDE4C 1038/4885PDE4D 790/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 PDE4A 478/4885PDE4C 723/4885PDE4D 463/4885

“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.