SCHEMBL533227

SCHEMBL533227

CCC(C)Oc1ccc2c[c]sc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ACACB O00763 3/20 0.33
MCHR1 Q99705 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
AKR1C3 P42330 4/20 0.30
AKR1C2 P52895 4/20 0.30
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
AKR1C1 Q04828 1/20 0.30
PTGS1 P23219 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
SCHEMBL533913 0.84 ALDH1A1 (0.39) MAPT
SCHEMBL533355 0.78
SCHEMBL533424 0.78 ALOX15 (0.34) MAPT
SCHEMBL533036 0.78 KMT2A (0.46) NPC1RAB9AMAPTAKR1C3AKR1C2
SCHEMBL533531 0.77 XDH (0.40) NPC1RAB9AMAPT
SCHEMBL533031 0.75 CYP1A2 (0.45) NPC1RAB9AMAPT
SCHEMBL3789636 0.75 MRGPRX4 (0.42) GPBAR1CYSLTR1ACACBMCHR1NPC1
SCHEMBL533265 0.75 CA12 (0.48) GPBAR1CYSLTR1NPC1RAB9AMAPT
SCHEMBL533037 0.75 CA12 (0.48) GPBAR1CYSLTR1NPC1RAB9AMAPT
SCHEMBL533886 0.73 ALDH1A1 (0.44) HDAC2HDAC8

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 GPBAR1 139/4885CYSLTR1 18/4885ACACB 734/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 GPBAR1 154/4885CYSLTR1 13/4885ACACB 768/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 GPBAR1 61/4885CYSLTR1 160/4885ACACB 374/4885

“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.