SCHEMBL533642

SCHEMBL533642

FC(F)(F)Cc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.41
GGPS1 O95749 2/20 0.41
PTPN5 P54829 6/20 0.37
MMP3 P08254 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRKCI P41743 1/20 0.36
PTPN1 P18031 1/20 0.34
MAOB P27338 1/20 0.34
ABL1 P00519 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
BCL2 P10415 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
SCHEMBL533517 0.82 GGPS1 (0.41) AGXTGGPS1PTPN5MMP3PRMT6
SCHEMBL534187 0.79 MAOB (0.33) MAOB
SCHEMBL533747 0.76 CTSS (0.47) AGXTMMP3PRMT6PRKCIBCL2
Formamide SCHEMBL6016424 0.76 AGXT (0.45) AGXTGGPS1PTPN5PRMT6PRKCI
SCHEMBL28760886 0.76 CYP4F2 (0.42) AGXTGGPS1MMP3PRMT6PRKCI
SCHEMBL3140122 0.76 PRKCI (0.61) AGXTMMP3PRMT6PRKCIBCL2
SCHEMBL533143 0.76 BCL2 (0.54) AGXTMMP3PRMT6PRKCIBCL2
SCHEMBL3144418 0.76 TAAR1 (0.48) AGXTMMP3PRMT6TAAR1
SCHEMBL337423 0.74
SCHEMBL11973522 0.73 MEN1 (0.48) ABL1TAAR1

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 AGXT 945/4885GGPS1 1150/4885PTPN5 2670/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 AGXT 928/4885GGPS1 1125/4885PTPN5 2734/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 AGXT 621/4885GGPS1 478/4885PTPN5 2934/4885

“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.