SCHEMBL533297

SCHEMBL533297

CC(C)c1csc(-c2cc[c]cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.39
HAO1 Q9UJM8 1/20 0.36
CCR4 P51679 1/20 0.35
TYK2 P29597 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SREBF2 Q12772 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 3/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 2/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL533438 0.82 IDH1 (0.36) CTSKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL534074 0.82 GFER (0.34) CTSKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL62767 0.81 SREBF2 (0.50) CTSKCCR4NPC1RAB9AKDM4E
SCHEMBL10022359 0.81 KDM4E (0.50) TYK2NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL12180285 0.80 RAB9A (0.53) NPC1RAB9AKDM4ESMN1; SMN2SREBF2
SCHEMBL13996111 0.79 KDM4E (0.51) TYK2RAB9AKDM4ESREBF2ALDH1A1
SCHEMBL2739326 0.79 GFER (0.53) NPC1RAB9AKDM4ESMN1; SMN2SREBF2
SCHEMBL533221 0.76 CYP3A4 (0.51) NPC1RAB9AKDM4ESMN1; SMN2SREBF2
SCHEMBL17540819 0.75 DRD2 (0.43) CTSKHAO1CCR4TYK2KDM4E
SCHEMBL533675 0.75 PPARD (0.32) NPC1RAB9AKDM4ESMN1; SMN2SREBF2

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 CTSK 3081/4885HAO1 513/4885CCR4 1404/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CTSK 2885/4885HAO1 577/4885CCR4 1452/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CTSK 2572/4885HAO1 507/4885CCR4 3798/4885

“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.