Sugi Predict

Sugi Predict / Compounds / SCHEMBL1004940

SCHEMBL1004940

SCHEMBL1004940

Cc1ccc(-c2nc(OS(=O)(=O)C(F)(F)F)co2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ PDE4B Q07343 2/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ SDHB P21912 1/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ENPP3 O14638 3/20 0.33
▸ ENPP1 P22413 3/20 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
SCHEMBL68227 0.87 HDAC1 (0.43) HDAC1HDAC8HDAC6PDE4BNPC1
SCHEMBL3707228 0.87 ALDH1A1 (0.42) HDAC1HDAC8HDAC6PDE4BNPC1
SCHEMBL84528 0.87 ALDH1A1 (0.42) HDAC1HDAC8HDAC6PDE4BNPC1
SCHEMBL1003937 0.86 ENPP3 (0.49) HDAC1HDAC8HDAC6PDE4BNPC1
SCHEMBL1001250 0.86 HDAC1 (0.42) HDAC1HDAC8HDAC6PDE4BS1PR1
SCHEMBL1001041 0.84 SCN10A (0.45) HDAC1HDAC8HDAC6SCN10ANOTUM
SCHEMBL5836387 0.83 ENPP3 (0.46) HDAC1HDAC8HDAC6PDE4BNPC1
SCHEMBL15577165 0.82 PPARG (0.36) HDAC1HDAC8HDAC6SCN10AENPP3
SCHEMBL1001323 0.81 PDE4A (0.36) HDAC6
SCHEMBL1002474 0.79 PDE4A (0.33) —

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 19 patents. 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-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 — — US disclosed
WO-2011094209-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATONS MERCK SHARP & DOHME CORP. (US) 2011-08-04 — — WO 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
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

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 HDAC1 704/4885HDAC8 796/4885HDAC6 702/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 HDAC1 704/4885HDAC8 796/4885HDAC6 702/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 HDAC1 715/4885HDAC8 714/4885HDAC6 555/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 HDAC1 1337/4885HDAC8 1491/4885HDAC6 609/4885

“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.