SCHEMBL533583

SCHEMBL533583

CC(C)(C)OC(=O)N(c1cccc(C(NCc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cccnc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.34
PORCN Q9H237 1/20 0.34
ADRB2 P07550 2/20 0.33
PTGER2 P43116 9/20 0.32
GPR119 Q8TDV5 1/20 0.31
F2 P00734 1/20 0.31
KAT6A Q92794 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL533488 0.90 ADRB2 (0.35) NTRK1PORCNADRB2GPR119F2
SCHEMBL533408 0.89 ADRB2 (0.34) NTRK1PORCNADRB2PTGER2GPR119
SCHEMBL535216 0.88 PTGER2 (0.35) NTRK1PORCNADRB2PTGER2F2
SCHEMBL533581 0.84 PTGER2 (0.33) NTRK1PTGER2GPR119KAT6A
SCHEMBL533640 0.83 PTGER2 (0.43) PTGER2GPR119NAMPT
SCHEMBL533582 0.81 PTGER2 (0.51) PTGER2
SCHEMBL13571649 0.81 PTGER2 (0.37) PTGER2
SCHEMBL534306 0.79 PTGER2 (0.33) ADRB2PTGER2
SCHEMBL534202 0.79 PTPRB (0.33)
SCHEMBL535026 0.78 ALOX5AP (0.33) NTRK1PORCNPTGER2GPR119

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 3 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-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 (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-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 NTRK1 3921/4885PORCN 3401/4885ADRB2 373/4885

“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.