Sugi Predict

Sugi Predict / Compounds / SCHEMBL1002194

SCHEMBL1002194

SCHEMBL1002194

C[S@@+]([O-])c1ccc(-c2coc(-c3ccc(F)cc3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MMP13 P45452 3/20 0.39
▸ ENPP3 O14638 2/20 0.38
▸ ENPP1 P22413 2/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ BACE1 P56817 1/20 0.35

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
SCHEMBL1004600 1.00 KDM5B (0.41) KDM5BHDAC1HDAC8HDAC6MMP13
SCHEMBL1002193 1.00 KDM5B (0.41) KDM5BHDAC1HDAC8HDAC6MMP13
SCHEMBL1000994 0.77 FAAH (0.48) KDM5BHDAC1HDAC8HDAC6MMP13
SCHEMBL1001407 0.77 HDAC1 (0.42) KDM5BHDAC1HDAC8HDAC6MMP13
SCHEMBL7945448 0.77 MMP13 (0.42) KDM5BHDAC1HDAC8HDAC6MMP13
SCHEMBL1002137 0.76 KDM5B (0.41) KDM5BHDAC1HDAC8HDAC6MMP13
SCHEMBL15520374 0.76 KDM5B (0.41) KDM5BHDAC1HDAC8HDAC6MMP13
SCHEMBL15802660 0.76 KDM4E (0.42) KDM5BHDAC1HDAC8HDAC6MMP13
SCHEMBL1001803 0.75 FAAH (0.38) KDM4E
SCHEMBL1003969 0.75 FAAH (0.38) KDM4E

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 7 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-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2014-06-19 — — 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
CN-102858338-A Pharmaceutical compositions for the treatment of pain and other indications MERCK SHARP & DOHME 2013-01-02 — — CN 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

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 KDM5B 1050/4885HDAC1 704/4885HDAC8 796/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 KDM5B 1050/4885HDAC1 704/4885HDAC8 796/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 KDM5B 707/4885HDAC1 715/4885HDAC8 714/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 KDM5B 752/4885HDAC1 1337/4885HDAC8 1491/4885

“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.