SCHEMBL533281

SCHEMBL533281

CCCc1ccc2c[c]sc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HRH1 P35367 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SKP2 Q13309 1/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NCEH1 Q6PIU2 2/20 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
SCHEMBL533147 0.90 SKP2 (0.45) SKP2NPC1TP53RAB9ASMN1; SMN2
SCHEMBL533336 0.88 TLR8 (0.42) ADRA2AADRA2BADRA2CSKP2TP53
SCHEMBL533202 0.87 TLR8 (0.43) ADRA2AADRA2BADRA2CLPLLIPG
SCHEMBL533900 0.77
SCHEMBL533425 0.77 GABRA1 (0.40) CNR1ADRA2BHRH1ALOX5TP53
SCHEMBL5536300 0.73 TLR8 (0.43) ADRA2AADRA2BADRA2CTP53HSD17B10
SCHEMBL533265 0.71 CA12 (0.48) NPC1RAB9A
SCHEMBL533037 0.71 CA12 (0.48) NPC1PKMRAB9ASMN1; SMN2HSD17B10
SCHEMBL7193556 0.71 CNR1 (0.54) CNR1CNR2SIGMAR1LPLLIPG
SCHEMBL31593166 0.71 CNR1 (0.54) CNR1CNR2SIGMAR1LPLLIPG

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 CNR1 99/4885CNR2 46/4885ADRA2A 4/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CNR1 88/4885CNR2 39/4885ADRA2A 6/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CNR1 294/4885CNR2 185/4885ADRA2A 385/4885

“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.