SCHEMBL533228

SCHEMBL533228

CC(C)C(Nc1cccc(C(N)(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2ccccn2)n1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
PTGER2 P43116 8/20 0.36
ADAMTS4 O75173 4/20 0.36
KAT6A Q92794 1/20 0.35
CFD P00746 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
NTRK1 P04629 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL533210 0.89 KAT6A (0.37) PTGER2KAT6ALOXL2
SCHEMBL12077394 0.86 PTGER2 (0.35) PTGER2KAT6ALOXL2NTRK1
SCHEMBL533144 0.85 KAT6A (0.34) MMP2MMP3MMP9MMP8MMP12
SCHEMBL12077259 0.85 KAT6A (0.34) MMP2MMP3MMP9MMP8MMP12
Hydrochloric Acid SCHEMBL10316788 0.85 PTGER2 (0.49) PTGER2
SCHEMBL533203 0.85 PTGER2 (0.49) PTGER2
Hydrochloric Acid SCHEMBL12077089 0.85 PTGER2 (0.35) MMP3MMP9PTGER2KAT6A
SCHEMBL12077060 0.84 KAT6A (0.34) PTGER2KAT6ALOXL2
SCHEMBL12077126 0.84 KAT6A (0.34) PTGER2KAT6ALOXL2
SCHEMBL10316594 0.82 KAT6A (0.33) PTGER2KAT6ALOXL2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US claimed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP claimed
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 MMP2 1315/4885MMP3 1016/4885MMP7 2565/4885

“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.