SCHEMBL533716

SCHEMBL533716

CC(C)(C)OC(=O)N(c1cccc(CNS(=O)(=O)c2ccc(F)cc2)n1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
GNRHR P30968 1/20 0.38
MMP13 P45452 4/20 0.37
CYP19A1 P11511 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PTGER2 P43116 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
MMP8 P22894 1/20 0.35
MCL1 Q07820 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
CXCR4 P61073 1/20 0.34

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
SCHEMBL533519 0.87 MAPT (0.42) MAPTPTGER2
SCHEMBL533528 0.83 L3MBTL1 (0.46) KMT2APTGER2ALDH1A1L3MBTL1POLB
SCHEMBL3459218 0.83 KMT2A (0.41) KMT2AGNRHRCYP19A1TP53MAPT
SCHEMBL533715 0.80 MMP13 (0.33) MMP13PTGER2
SCHEMBL533335 0.78 SLC7A5 (0.34) KMT2AMMP13
SCHEMBL533686 0.77 SLC7A5 (0.36) MMP13
SCHEMBL533779 0.74 PTGER2 (0.50) PTGER2
SCHEMBL17472651 0.74 NR1H2 (0.43) PTGER2ALDH1A1POLBMCL1
SCHEMBL11023383 0.74 PTGER2 (0.47) PTGER2
SCHEMBL533713 0.74 PTGER2 (0.61) 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 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 KMT2A 3385/4885GNRHR 1991/4885MMP13 843/4885

“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.