SCHEMBL533580

SCHEMBL533580

CC(C)(C)OC(=O)N(Cc1ccc(-c2nccs2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.47
ADRB2 P07550 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
GRM2 Q14416 1/20 0.44
LTA4H P09960 1/20 0.42
CARM1 Q86X55 4/20 0.41
PRMT1 Q99873 4/20 0.41
PDPK1 O15530 1/20 0.40
NTRK1 P04629 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL8220821 0.77 ADRB2 (0.56) GPR119ADRB2LOXL2
SCHEMBL28126455 0.77 GPR119 (0.55) GPR119ADRB2LOXL2LTA4HPDPK1
SCHEMBL30400038 0.76 CYP17A1 (0.46) GPR119GRM2
SCHEMBL15090620 0.75 LTA4H (0.47) GPR119ADRB2LOXL2LTA4HPDPK1
SCHEMBL6167 0.75 ADRB2 (0.53) GPR119ADRB2LOXL2LTA4HPDPK1
SCHEMBL8117503 0.74 CYP17A1 (0.57) GPR119ADRB2
SCHEMBL7439074 0.73 GPR119 (0.43) GPR119ADRB2LOXL2LTA4HPDPK1
SCHEMBL7944783 0.73 GRM2 (0.44) GRM2
SCHEMBL19153416 0.73 AKT1 (0.43) GRM2
SCHEMBL3819098 0.73 AKT1 (0.52)

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
WO-2024117179-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ALIVEXIS, INC. (JP) 2024-06-06 WO disclosed
WO-2024117179-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ALIVEXIS, INC. (JP) 2024-06-06 WO disclosed
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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP 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 (4 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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 GPR119 246/4885ADRB2 11/4885LOXL2 432/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 GPR119 615/4885ADRB2 25/4885LOXL2 395/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 GPR119 412/4885ADRB2 29/4885LOXL2 390/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 GPR119 1168/4885ADRB2 373/4885LOXL2 2018/4885

“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.