SCHEMBL533487

SCHEMBL533487

CC(C)(C)OC(=O)N(c1cccc(C(N)(Cc2ccc(-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 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.33
GRM2 Q14416 1/20 0.32
NTRK1 P04629 2/20 0.32
KAT6A Q92794 1/20 0.31
ADAMTS4 O75173 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
SCHEMBL533581 0.90 PTGER2 (0.33) GPR119NTRK1KAT6A
SCHEMBL533406 0.89 ALOX5AP (0.34) GPR119NTRK1KAT6A
SCHEMBL533712 0.86 PTGER2 (0.40) GRM2ADAMTS4
SCHEMBL533841 0.86 GPR119 (0.34) GPR119GRM2NTRK1
SCHEMBL533733 0.85 MMP13 (0.31) GRM2
SCHEMBL533778 0.84 CA12 (0.36) GPR119
SCHEMBL533488 0.83 ADRB2 (0.35) GPR119NTRK1ADAMTS4
SCHEMBL11023383 0.82 PTGER2 (0.47)
SCHEMBL534324 0.81 PTGER2 (0.38) ADAMTS4
SCHEMBL13572366 0.81 PTGER2 (0.41)

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 GPR119 1168/4885GRM2 1341/4885NTRK1 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.