SCHEMBL533541

SCHEMBL533541

FC(F)(F)Oc1csc(-c2cc[c]cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.36
PIM1 P11309 2/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CYP2C9 P11712 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.31
AR P10275 1/20 0.31
ADORA1 P30542 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
SCHEMBL533357 0.84 GFER (0.32) KDM4E
SCHEMBL533254 0.84 CYP19A1 (0.32) KDM4E
SCHEMBL28132339 0.83 KDM4E (0.45) SHMT2CYP2C9SCN9AKDM4EAR
SCHEMBL533548 0.78 CYP19A1 (0.43) KDM4E
SCHEMBL533597 0.77 IRAK4 (0.31) KDM4EAR
SCHEMBL533679 0.77 GFER (0.32) KDM4E
SCHEMBL533201 0.75 IDH1 (0.36) PIM1KDM4EAR
SCHEMBL533675 0.74 PPARD (0.32) KDM4E
SCHEMBL533361 0.74 CYP19A1 (0.48) KDM4E
SCHEMBL534343 0.72 RAB9A (0.46) KDM4E

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-102448940-B For the medical composition of glaucomatous treatment or prevention UBE INDUSTRIES, LTD. (JP) 2015-10-21 CN 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
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 SHMT2 1921/4885PIM1 4327/4885SCN10A 2296/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 SHMT2 1900/4885PIM1 4427/4885SCN10A 2207/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 SHMT2 2442/4885PIM1 4814/4885SCN10A 1497/4885

“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.