SCHEMBL7753516

SCHEMBL7753516

CN[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MMP9 P14780 1/20 0.52
SLC15A1 P46059 2/20 0.49
ABCB1 P08183 1/20 0.46
TACR1 P25103 1/20 0.46
CASP1 P29466 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDC25B P30305 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL19511367 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1MMP9SLC15A1
SCHEMBL31276678 0.92 ABCB1 (0.51) ALDH1A1MAPK1L3MBTL1MMP9ABCB1
SCHEMBL13936459 0.91 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1MMP9SLC15A1
SCHEMBL17995311 0.91 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1MMP9SLC15A1
SCHEMBL16446118 0.91 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1MMP9SLC15A1
SCHEMBL5019111 0.89 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1TACR1CASP1
SCHEMBL12570556 0.87 SYK (0.47) ALDH1A1MAPK1L3MBTL1TDP1POLB
SCHEMBL23879108 0.85 MMP9 (0.48) ALDH1A1MAPK1L3MBTL1MMP9SLC15A1
SCHEMBL23901485 0.85 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TACR1CASP1
SCHEMBL28709501 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1MMP9SLC15A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239142-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-07-03 EP disclosed
US-9975903-B2 Condensed heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-22 US disclosed
US-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-07 US disclosed
EP-3239142-A1 CONDENSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-11-01 EP disclosed
EP-1077995-A1 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 2001-02-28 EP disclosed
WO-1999061466-A1 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 WO disclosed
EP-0171159-B1 SUBSTITUTED AZETIDINONE COMPOUNDS, THEIR PREPARATION, AND MEDICAMENTS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-05-30 EP disclosed
US-4719207-A CENTRAL NERVOUS SYSTEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1988-01-12 US disclosed
EP-0171159-A1 Substituted azetidinone compounds, their preparation, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-02-12 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 (1 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-20170349605-A1 CONDENSED HETEROCYCLIC COMPOUND VIP, TMPRSS15, MMP2 ALDH1A1 996/4885MAPK1 1254/4885L3MBTL1 4427/4885

“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.