SCHEMBL533548

SCHEMBL533548

COc1csc(-c2cc[c]cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 3/20 0.40
ATM Q13315 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MEN1 O00255 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 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
SCHEMBL28003513 0.81 CYP19A1 (0.60) CYP19A1MAPTKDM4ERAB9APOLB
SCHEMBL5396498 0.81 RAB9A (0.50) CYP19A1MAPTKDM4EALDH1A1RAB9A
SCHEMBL533675 0.81 PPARD (0.32) CYP19A1MAPTKDM4EALDH1A1RAB9A
SCHEMBL533361 0.81 CYP19A1 (0.48) CYP19A1MAPTKDM4EALDH1A1RAB9A
SCHEMBL533254 0.81 CYP19A1 (0.32) CYP19A1MAPTKDM4EALDH1A1RAB9A
SCHEMBL534343 0.79 RAB9A (0.46) CYP19A1MAPTKDM4ERAB9ACDC25A
SCHEMBL28817509 0.79 GFER (0.53) CYP19A1MAPTKDM4EALDH1A1RAB9A
SCHEMBL533597 0.78 IRAK4 (0.31) KDM4E
SCHEMBL533357 0.78 GFER (0.32) MAPTKDM4EALDH1A1RAB9ATDP1
SCHEMBL533541 0.78 SHMT2 (0.36) KDM4E

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-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
CN-101970410-A Pyridylaminoacetic acid compounds UBE INDUSTRIES 2011-02-09 CN 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 CYP19A1 1523/4885MAPT 4180/4885KDM4E 2779/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP19A1 1517/4885MAPT 4449/4885KDM4E 2804/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CYP19A1 433/4885MAPT 3554/4885KDM4E 3706/4885

“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.