SCHEMBL533303

SCHEMBL533303

FC(F)Oc1nc(-c2cc[c]cc2)cs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 5/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NPC1 O15118 4/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
KDM4E B2RXH2 2/20 0.31
AR P10275 1/20 0.31
LTA4H P09960 3/20 0.31
MEN1 O00255 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
SCHEMBL533598 0.84 RAB9A (0.35) ALDH1A1MAPTGAAMAPK1RAB9A
SCHEMBL533347 0.84 ALDH1A1 (0.34) ALDH1A1MAPTGAARAB9ACYP3A4
SCHEMBL533701 0.78 MAPT (0.45) ALDH1A1MAPTGAARAB9ACYP3A4
SCHEMBL533127 0.77 ALOX5 (0.39) ALDH1A1MAPTRAB9ACYP3A4ALOX5
SCHEMBL533522 0.75 ALDH1A1 (0.37) ALDH1A1MAPTGAARAB9ACYP3A4
SCHEMBL533569 0.74 ALDH1A1 (0.34) ALDH1A1MAPTGAARAB9ACYP3A4
SCHEMBL532989 0.74 RAB9A (0.35) ALDH1A1MAPTGAAMAPK1TDP1
SCHEMBL534215 0.74 ALOX5 (0.39) ALDH1A1MAPTGAARAB9ACYP3A4
SCHEMBL533529 0.72 MAPT (0.46) MAPTMAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL534216 0.72 ALDH1A1 (0.44) ALDH1A1MAPTGAATDP1RAB9A

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 ALDH1A1 204/4885MAPT 4180/4885GAA 2639/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A1 256/4885MAPT 4449/4885GAA 2602/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 ALDH1A1 377/4885MAPT 3554/4885GAA 1887/4885

“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.