Sugi Predict

Sugi Predict / Compounds / SCHEMBL15633642

SCHEMBL15633642

SCHEMBL15633642

N=C(NO)c1ccc(CO)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.37
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.35
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.30
▸ PRKAB2 O43741 1/20 0.30
▸ PRKAG1 P54619 1/20 0.30
▸ PRKAA2 P54646 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
SCHEMBL15633481 0.80 PRSS1 (0.34) PRSS1PRSS2PRSS3RECQLHDAC8
SCHEMBL536636 0.79 PRSS1 (0.37) HDAC6PRSS1PRSS2PRSS3HDAC1
SCHEMBL194112 0.77 CES2 (0.52) —
SCHEMBL241516 0.76 DGAT1 (0.53) DGAT1
SCHEMBL20600120 0.76 LOXL2 (0.40) HDAC6HDAC1HDAC7HDAC8LOXL2
SCHEMBL31661821 0.76 DGAT1 (0.53) DGAT1
SCHEMBL3455630 0.76 ESR1 (0.37) DGAT1
SCHEMBL1439041 0.74 CRBN (0.37) KIF11HDAC6HDAC1DGAT1
SCHEMBL4586556 0.74 CYP11B2 (0.43) HDAC6HDAC1
SCHEMBL542783 0.73 PRKAB2 (0.49) CYP4F2CYP4A11EPHX2NR1H4PRKAB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-09-18 — — US disclosed
US-8722712-B2 Substituted aryl 1 ,2,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-13 — — US disclosed
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2014-04-10 — — US disclosed
WO-2014055916-A1 SUBSTITUTED ARYL-1,2,4-OXADIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF INTERALIA OCULAR OR INFLAMMATORY DISEASES ALLERGAN, INC. (US) 2014-04-10 — — 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 (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-20140274963-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 KIF11 2958/4885CYP4F2 1933/4885CYP4A11 878/4885
US-20140100199-A1 SUBSTITUTED ARYL 1 ,2,4-OXADIAZOLES DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 KIF11 2958/4885CYP4F2 1933/4885CYP4A11 878/4885

“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.