SCHEMBL535026

SCHEMBL535026

CC(C)(C)OC(=O)N(c1cccc(CNC(c2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccccn2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.33
PTGER2 P43116 11/20 0.32
PORCN Q9H237 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
NTRK1 P04629 2/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK14 Q16539 1/20 0.31
SMO Q99835 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
SCHEMBL533408 0.89 ADRB2 (0.34) ALOX5APPTGER2PORCNGPR119NTRK1
SCHEMBL6525295 0.88 PTGER2 (0.34) ALOX5APPTGER2GPR119NTRK1CTSL
SCHEMBL533407 0.83 PTGER2 (0.49) PTGER2
SCHEMBL534306 0.80 PTGER2 (0.33) PTGER2CYP3A4CYP2D6
SCHEMBL533406 0.79 ALOX5AP (0.34) ALOX5APPTGER2GPR119NTRK1CYP3A4
SCHEMBL533528 0.79 L3MBTL1 (0.46) PTGER2CTSBCTSSCTSK
SCHEMBL534351 0.78 PTGER2 (0.32) PTGER2
SCHEMBL533488 0.78 ADRB2 (0.35) PORCNGPR119NTRK1
SCHEMBL534202 0.78 PTPRB (0.33)
SCHEMBL533583 0.78 NTRK1 (0.34) PTGER2PORCNGPR119NTRK1

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 ALOX5AP 675/4885PTGER2 24/4885PORCN 3401/4885

“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.