SCHEMBL533147

SCHEMBL533147

CCCCc1ccc2c[c]sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.45
CASP3 P42574 4/20 0.38
SENP8 Q96LD8 4/20 0.38
SENP7 Q9BQF6 4/20 0.38
SENP6 Q9GZR1 4/20 0.38
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR8 Q9NR97 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL533336 0.95 TLR8 (0.42) SKP2TLR8TP53ALDH1A1HSD17B10
SCHEMBL533202 0.94 TLR8 (0.43) TLR8TP53ALDH1A1HSD17B10
SCHEMBL533281 0.90 CNR1 (0.39) SKP2NPC1RAB9ATP53SMN1; SMN2
SCHEMBL5536300 0.81 TLR8 (0.43) TLR8TP53ALDH1A1HSD17B10
SCHEMBL533265 0.75 CA12 (0.48) NPC1RAB9ACA1CA2ALDH1A1
SCHEMBL533425 0.75 GABRA1 (0.40) MAPK1RAB9AHPGDTP53POLB
SCHEMBL533900 0.75
SCHEMBL1537772 0.73 SKP2 (0.55) SKP2NPC1MAPK1RAB9AHPGD
SCHEMBL31593167 0.73 SKP2 (0.55) SKP2NPC1MAPK1RAB9AHPGD
SCHEMBL3790091 0.72 CASP3 (0.43) SKP2CASP3SENP8SENP7SENP6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SKP2 1061/4885CASP3 3824/4885SENP8 4553/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 SKP2 1289/4885CASP3 3839/4885SENP8 4455/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 SKP2 3234/4885CASP3 2418/4885SENP8 4446/4885

“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.