SCHEMBL533406

SCHEMBL533406

CC(C)(C)OC(=O)N(c1cccc(C(N)(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccccn2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.34
GPR119 Q8TDV5 1/20 0.33
KAT6A Q92794 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
PTGER2 P43116 5/20 0.30
F2 P00734 1/20 0.30
NTRK1 P04629 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL534305 0.91 KDM4E (0.32) PTGER2F2CA12CA1CA2
SCHEMBL11021648 0.89 PPARD (0.32)
SCHEMBL535155 0.89 CA12 (0.32) CA12CA1CA2CA5ACA9
SCHEMBL533626 0.89 ALOX5AP (0.32) ALOX5APCA12CA1CA2CA5A
SCHEMBL533581 0.89 PTGER2 (0.33) GPR119KAT6APTGER2NTRK1CA12
SCHEMBL533487 0.89 GPR119 (0.33) GPR119KAT6ANTRK1
SCHEMBL10320465 0.88 F2 (0.34) PTGER2F2
SCHEMBL534495 0.88 PTPRB (0.30)
SCHEMBL534349 0.88 KAT6A (0.32) ALOX5APKAT6APTGER2CA12CA1
SCHEMBL534189 0.86 ALOX5AP (0.35) ALOX5APGPR119KAT6ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP 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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 ALOX5AP 376/4885GPR119 246/4885KAT6A 2430/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 ALOX5AP 675/4885GPR119 1168/4885KAT6A 1992/4885

“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.