SCHEMBL533438

SCHEMBL533438

FC(F)c1csc(-c2cc[c]cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.36
KDM4E B2RXH2 5/20 0.33
AR P10275 2/20 0.33
CTSK P43235 1/20 0.33
KMT2A Q03164 1/20 0.32
GFER P55789 1/20 0.31
LMNA P02545 3/20 0.30
RAB9A P51151 3/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
SREBF2 Q12772 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL534074 0.82 GFER (0.34) KDM4EARCTSKKMT2AGFER
SCHEMBL533297 0.82 CTSK (0.39) KDM4EARCTSKKMT2AGFER
SCHEMBL533223 0.76 KDM4E (0.40) KDM4EARKMT2AGFERLMNA
SCHEMBL533597 0.75 IRAK4 (0.31) KDM4EAR
SCHEMBL533221 0.72 CYP3A4 (0.51) KDM4EKMT2ALMNARAB9ASMN1; SMN2
SCHEMBL533149 0.72 GFER (0.41) KDM4EARKMT2AGFERLMNA
SCHEMBL2155406 0.72 CYP19A1 (0.40) KDM4EARKMT2AGFERLMNA
SCHEMBL533201 0.71 IDH1 (0.36) IDH1KDM4EARKMT2ALMNA
SCHEMBL533541 0.68 SHMT2 (0.36) KDM4EAR
SCHEMBL533679 0.68 GFER (0.32) KDM4EGFERLMNARAB9ASMN1; SMN2

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 IDH1 3942/4885KDM4E 2779/4885AR 680/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 IDH1 4099/4885KDM4E 2804/4885AR 799/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 IDH1 277/4885KDM4E 3706/4885AR 3719/4885

“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.