SCHEMBL533408

SCHEMBL533408

CC(C)(C)OC(=O)N(c1cccc(C(NCc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccccn2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.34
PORCN Q9H237 1/20 0.34
NTRK1 P04629 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
ALOX5AP P20292 1/20 0.32
P2RX4 Q99571 1/20 0.32
PTGER2 P43116 6/20 0.31
PTPRB P23467 2/20 0.31
FAAH O00519 1/20 0.30
EPHX2 P34913 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
SCHEMBL534306 0.91 PTGER2 (0.33) ADRB2PTGER2PTPRB
SCHEMBL535026 0.89 ALOX5AP (0.33) PORCNNTRK1GPR119ALOX5APPTGER2
SCHEMBL533488 0.89 ADRB2 (0.35) ADRB2PORCNNTRK1GPR119
SCHEMBL534202 0.89 PTPRB (0.33) PTPRB
SCHEMBL533583 0.89 NTRK1 (0.34) ADRB2PORCNNTRK1GPR119PTGER2
SCHEMBL534351 0.88 PTGER2 (0.32) PTGER2PTPRB
SCHEMBL3458496 0.87 ADRB2 (0.35) ADRB2PORCNNTRK1GPR119ALOX5AP
SCHEMBL534465 0.84 USP30 (0.34) PTGER2
SCHEMBL533406 0.82 ALOX5AP (0.34) NTRK1GPR119ALOX5APPTGER2
SCHEMBL533407 0.81 PTGER2 (0.49) PTGER2

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-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

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 ADRB2 11/4885PORCN 1524/4885NTRK1 3682/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 ADRB2 373/4885PORCN 3401/4885NTRK1 3921/4885

“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.