SCHEMBL533687

SCHEMBL533687

CC(C)(Cc1cccc(CN)n1)OC(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.37
CA2 P00918 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
ATM Q13315 2/20 0.33
CTSS P25774 1/20 0.33
MAPT P10636 1/20 0.32
CNR2 P34972 3/20 0.32
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL534537 0.80 NPSR1 (0.36) CTSKMEN1KMT2AOPRM1OPRD1
SCHEMBL534486 0.78 CA2 (0.34) CTSKCA2ATMCTSSMAPT
SCHEMBL13571265 0.78 NPSR1 (0.37) CTSKMEN1KMT2AOPRM1OPRD1
SCHEMBL533788 0.76 CTSK (0.33) CTSKCA2CTSSCNR2CNR1
SCHEMBL534468 0.72 PTGER2 (0.53)
SCHEMBL28461111 0.69 MEN1 (0.41) MEN1KMT2AOPRM1OPRD1ALDH1A1
SCHEMBL13940974 0.67 NPSR1 (0.51) CA2ATMLMNANPSR1HSD17B10
SCHEMBL27725050 0.66 MEN1 (0.38) MEN1KMT2AOPRM1OPRD1LMNA
SCHEMBL27704541 0.65 MEN1 (0.37) MEN1KMT2AOPRM1OPRD1LMNA
SCHEMBL19873703 0.65 ALDH1A1 (0.38) MEN1KMT2AOPRM1OPRD1MAPT

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-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
US-20120184747-A1 ANILINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-07-19 US disclosed
EP-2476668-A1 ANILINE 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

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-20120184747-A1 ANILINE COMPOUND PTGER2, ADRB2, PTGER1 CTSK 4095/4885CA2 611/4885MEN1 4091/4885
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 CTSK 3851/4885CA2 447/4885MEN1 4568/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CTSK 2572/4885CA2 79/4885MEN1 1413/4885

“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.