SCHEMBL533444

SCHEMBL533444

CC(=O)OC(C)Nc1cccc(C(N)(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 7/20 0.52
PTGER4 P35408 1/20 0.48
NAMPT P43490 6/20 0.39
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
TP53 P04637 1/20 0.34
SYK P43405 1/20 0.34
KLKB1 P03952 1/20 0.33
KLK1 P06870 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
SCHEMBL15412004 0.88 PTGER2 (0.48) PTGER2PTGER4NAMPTMAPTMEN1
SCHEMBL18204449 0.88 PTGER2 (0.68) PTGER2PTGER4NAMPT
SCHEMBL11026027 0.88 PTGER2 (0.49) PTGER2PTGER4NAMPTMAPTMEN1
SCHEMBL533071 0.88 PTGER2 (0.47) PTGER2PTGER4NAMPTMAPTMEN1
SCHEMBL533544 0.86 PTGER2 (0.48) PTGER2PTGER4NAMPTMAPTMEN1
Hydrochloric Acid SCHEMBL533631 0.85 PTGER2 (0.65) PTGER2PTGER4
SCHEMBL533244 0.85 PTGER2 (0.65) PTGER2PTGER4
SCHEMBL28716177 0.85 PTGER2 (0.49) PTGER2PTGER4NAMPTMAPTMEN1
SCHEMBL22770080 0.84 PTGER2 (0.46) PTGER2PTGER4NAMPTMAPTMEN1
SCHEMBL10316682 0.83 PTGER2 (0.47) PTGER2PTGER4NAMPTMAPTMEN1

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
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-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.