SCHEMBL533546

SCHEMBL533546

CCC(Nc1cccc(C(Cc2ccc(-n3cccn3)cc2)NS(=O)(=O)c2cccnc2)n1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 5/20 0.47
PTGER4 P35408 1/20 0.47
NAMPT P43490 6/20 0.38
ITGAV P06756 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MMP12 P39900 1/20 0.34
TP53 P04637 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
SCHEMBL10316685 0.90 PTGER2 (0.46) PTGER2PTGER4NAMPTITGAVMEN1
SCHEMBL11026034 0.89 PTGER2 (0.49) PTGER2PTGER4NAMPTITGAVMEN1
SCHEMBL533246 0.86 PTGER2 (0.64) PTGER2PTGER4
Hydrochloric Acid SCHEMBL533633 0.86 PTGER2 (0.64) PTGER2PTGER4
SCHEMBL15412005 0.85 PTGER2 (0.47) PTGER2PTGER4NAMPTMEN1MAPT
SCHEMBL533073 0.83 PTGER2 (0.46) PTGER2PTGER4NAMPTMEN1MAPT
SCHEMBL30063042 0.83 PTGER2 (0.46) PTGER2PTGER4NAMPTMEN1MAPT
SCHEMBL20262519 0.82 PTGER2 (0.67) PTGER2PTGER4NAMPT
SCHEMBL29391537 0.82 PTGER2 (0.67) PTGER2PTGER4NAMPT
SCHEMBL533447 0.82 PTGER2 (0.48) PTGER2PTGER4NAMPTMEN1MAPT

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 4 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-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 PTGER2 24/4885PTGER4 133/4885NAMPT 3499/4885

“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.