SCHEMBL2569249

SCHEMBL2569249

Cc1cc(C(=N)NO)ccc1I

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
HDAC1 Q13547 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
ABCG2 Q9UNQ0 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
SCHEMBL12038105 0.85 MTOR (0.40) PRSS1PRSS2PRSS3HDAC1HDAC6
SCHEMBL17064011 0.82 PRSS1 (0.57) PRSS1PRSS2PRSS3HDAC1HDAC6
SCHEMBL4001018 0.78 TP53 (0.45) PRSS1PRSS2PRSS3HDAC6F2
SCHEMBL9090327 0.78 CHRNA1 (0.45) PRSS1PRSS2PRSS3HDAC1HDAC6
SCHEMBL27207680 0.77 HDAC1 (0.44) PRSS1PRSS2PRSS3HDAC1HDAC6
SCHEMBL4585688 0.77 TSHR (0.49) PRSS1PRSS2PRSS3HDAC1HDAC6
SCHEMBL19317270 0.76 PRSS1 (0.37) PRSS1PRSS2PRSS3HDAC1HDAC6
SCHEMBL16706131 0.74 PRSS1 (0.37) PRSS1PRSS2PRSS3HDAC1HDAC6
SCHEMBL2726617 0.74 RAB9A (0.46) PRSS1PRSS2PRSS3
SCHEMBL411085 0.74 PRSS1 (0.36) PRSS1PRSS2PRSS3HDAC1HDAC6

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-8354398-B2 Substituted isoxazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS The Board of TRustees of the University of Illinoi University of Illinios (US) 2011-12-08 US disclosed
EP-2382212-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-02 EP disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 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 (1 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-20110300165-A1 SUBSTITUTED ISOXAZOLE COMPOUNDS S1PR4, S1PR3, S1PR1 PRSS1 2103/4885PRSS2 4477/4885PRSS3 3337/4885

“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.