SCHEMBL533488

SCHEMBL533488

CC(C)(C)OC(=O)N(c1cccc(C(NCc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccc(F)cc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.35
NTRK1 P04629 3/20 0.34
PORCN Q9H237 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
ADAMTS4 O75173 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
MMP13 P45452 2/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP12 P39900 1/20 0.30
F2 P00734 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL533583 0.90 NTRK1 (0.34) ADRB2NTRK1PORCNGPR119F2
SCHEMBL533408 0.89 ADRB2 (0.34) ADRB2NTRK1PORCNGPR119
SCHEMBL533843 0.88 ADRB2 (0.36) ADRB2NTRK1PORCNGPR119TDP1
SCHEMBL533780 0.84 PTGER2 (0.35) GPR119MEN1KMT2A
SCHEMBL533487 0.83 GPR119 (0.33) NTRK1GPR119ADAMTS4
SCHEMBL13571649 0.81 PTGER2 (0.37) ALDH1A1
SCHEMBL11023383 0.81 PTGER2 (0.47)
SCHEMBL534202 0.81 PTPRB (0.33) KMT2A
SCHEMBL534306 0.80 PTGER2 (0.33) ADRB2ALDH1A1
SCHEMBL535026 0.78 ALOX5AP (0.33) NTRK1PORCNGPR119

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 ADRB2 373/4885NTRK1 3921/4885PORCN 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.