SCHEMBL533517

SCHEMBL533517

ClC(Cl)(Cl)Cc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.41
AGXT P21549 3/20 0.37
PRMT6 Q96LA8 4/20 0.37
MMP3 P08254 1/20 0.37
PRKCI P41743 1/20 0.36
BCL2 P10415 1/20 0.36
CHKA P35790 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
EPHX2 P34913 1/20 0.32
ATM Q13315 1/20 0.32
MAOA P21397 1/20 0.31
SHMT1 P34896 1/20 0.31
SHMT2 P34897 1/20 0.31
PTPN5 P54829 1/20 0.31

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
SCHEMBL533642 0.82 AGXT (0.41) GGPS1AGXTPRMT6MMP3PRKCI
SCHEMBL534276 0.79 HRH3 (0.32)
SCHEMBL533747 0.76 CTSS (0.47) AGXTPRMT6MMP3PRKCIBCL2
SCHEMBL28760886 0.76 CYP4F2 (0.42) GGPS1AGXTPRMT6MMP3PRKCI
SCHEMBL3144418 0.76 TAAR1 (0.48) AGXTPRMT6MMP3TAAR1
SCHEMBL533143 0.76 BCL2 (0.54) AGXTPRMT6MMP3PRKCIBCL2
SCHEMBL3140122 0.76 PRKCI (0.61) AGXTPRMT6MMP3PRKCIBCL2
SCHEMBL534198 0.74
SCHEMBL11973522 0.73 MEN1 (0.48) TAAR1MAOA
SCHEMBL694705 0.73 MMP3 (0.67) AGXTPRMT6MMP3PRKCI

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 7 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 disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
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
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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 (3 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 GGPS1 1150/4885AGXT 945/4885PRMT6 3012/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 GGPS1 1125/4885AGXT 928/4885PRMT6 2668/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 GGPS1 478/4885AGXT 621/4885PRMT6 2921/4885

“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.