SCHEMBL533425

SCHEMBL533425

CC(C)Cc1ccc2c[c]sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
HTR2A P28223 3/20 0.35
HTR2B P41595 2/20 0.35
HTR2C P28335 1/20 0.35
ABL1 P00519 1/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 4/20 0.32
PTGS1 P23219 3/20 0.32
LMNA P02545 3/20 0.32
CYP2C9 P11712 3/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ESR1 P03372 2/20 0.32
NFKB1 P19838 2/20 0.32
BLM P54132 2/20 0.32

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
SCHEMBL533255 0.80 CYP1A2 (0.44) MEN1KMT2AMAPTLMNAAKR1C3
SCHEMBL533281 0.77 CNR1 (0.39) ALOX5TP53ADRA2BCNR1HRH1
SCHEMBL533336 0.73 TLR8 (0.42) HTR2AHTR2CPTGS2PTGS1LMNA
SCHEMBL27718663 0.73 POLB (0.36) POLBMAPTPTGS1LMNAAKR1C3
SCHEMBL533030 0.73 RAB9A (0.42) MEN1KMT2AMAPTPTGS1LMNA
SCHEMBL28292686 0.72 HTR2A (0.57) GABRA1GABRB2HTR2AHTR2BHTR2C
SCHEMBL533900 0.72
SCHEMBL533531 0.72 XDH (0.40) ABL1POLBMAPTLMNACYP2C9
SCHEMBL12853146 0.71 GABRA1 (0.42) GABRA1GABRB2HTR2AHTR2BHTR2C
SCHEMBL8221541 0.70 GABRA1 (0.41) GABRA1GABRB2HTR2AHTR2BHTR2C

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 GABRA1 431/4885GABRB2 1001/4885HTR2A 141/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 GABRA1 457/4885GABRB2 879/4885HTR2A 164/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 GABRA1 853/4885GABRB2 1102/4885HTR2A 1014/4885

“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.