SCHEMBL534352

SCHEMBL534352

CC(C)c1nc(-c2cc[c]cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ALDH1A1 P00352 6/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33
SREBF2 Q12772 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL533579 0.82 ALDH1A1 (0.37) ALDH1A1CYP3A4GAARAB9ANPC1
SCHEMBL533522 0.82 ALDH1A1 (0.37) ALDH1A1CYP3A4GAARAB9ANPC1
SCHEMBL14558317 0.81 RAB9A (0.50) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL2754043 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4GAARAB9ANPC1
SCHEMBL2609421 0.80 RAB9A (0.53) ALDH1A1GAARAB9ANPC1MAPT
SCHEMBL22824711 0.80 MAPT (0.45) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL2513271 0.79 RAB9A (0.58) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2609415 0.79 RAB9A (0.56) ALDH1A1GAARAB9ANPC1MAPT
SCHEMBL10052165 0.79 KMT2A (0.58) ALDH1A1CYP3A4GAARAB9ANPC1
SCHEMBL2222772 0.79 ATP4A (0.49) ALDH1A1CYP3A4GAARAB9ANPC1

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 PIK3CD 3181/4885PIK3CA 2981/4885PIK3CB 3156/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 PIK3CD 3071/4885PIK3CA 3007/4885PIK3CB 2945/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 PIK3CD 3203/4885PIK3CA 2618/4885PIK3CB 3086/4885

“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.