SCHEMBL533498

SCHEMBL533498

FC(F)(F)c1nc(-c2cc[c]cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.41
LTA4H P09960 3/20 0.39
ADRB3 P13945 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX5 P09917 3/20 0.37
CYP3A4 P08684 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
MPL P40238 1/20 0.36
ADRB1 P08588 1/20 0.36
GSTO1 P78417 1/20 0.34
GFER P55789 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
SCHEMBL534315 0.82 ALDH1A1 (0.37) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL533851 0.82 GAA (0.40) LTA4HKDM4EMEN1KMT2AALDH1A1
SCHEMBL15647520 0.81 ALDH1A1 (0.55) KDM4EMEN1KMT2AALDH1A1CYP3A4
SCHEMBL27536520 0.79 RAB9A (0.56) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL2222773 0.79 LTA4H (0.49) LTA4HADRB3KDM4EMEN1KMT2A
SCHEMBL4319565 0.79 LTA4H (0.42) IDH1LTA4HADRB3KDM4EMEN1
SCHEMBL534216 0.76 ALDH1A1 (0.44) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL533381 0.76 GAA (0.61) KDM4EALDH1A1RAB9AGAAGFER
SCHEMBL533594 0.75 LOXL2 (0.41) LTA4HKDM4EMEN1KMT2AL3MBTL1
SCHEMBL12987349 0.75 NPC1 (0.61) LTA4HKDM4EMEN1KMT2AL3MBTL1

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 11 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
CN-103965099-A Pyridylaminoacetic Acid Compound UBE INDUSTRIES 2014-08-06 CN disclosed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 CN 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
CN-102448940-A Pharmaceutical composition for treating or preventing glaucoma UBE INDUSTRIES 2012-05-09 CN 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
CN-101970410-A Pyridylaminoacetic acid compounds UBE INDUSTRIES 2011-02-09 CN 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 IDH1 3942/4885LTA4H 37/4885ADRB3 48/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 IDH1 4099/4885LTA4H 32/4885ADRB3 57/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 IDH1 277/4885LTA4H 465/4885ADRB3 95/4885

“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.