SCHEMBL3194496

SCHEMBL3194496

CCOC(=O)CNC(CC(=O)OCC)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.50
MMP9 P14780 1/20 0.45
TACR1 P25103 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GPR142 Q7Z601 1/20 0.44
PKM P14618 1/20 0.44
LTA4H P09960 3/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
ABCB1 P08183 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SLC15A1 P46059 1/20 0.41

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
SCHEMBL19511852 0.92 ALDH1A1 (0.51) MMP9ALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL19511851 0.92 ALDH1A1 (0.51) MMP9ALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL1912567 0.83 PPID (0.52) PPIDALDH1A1PKMLTA4HMAPK1
SCHEMBL21555767 0.83 ALDH1A1 (0.51) MMP9ALDH1A1MAPK1L3MBTL1RAB9A
SCHEMBL23011540 0.83 PPID (0.46) PPIDALDH1A1GPR142PKMMAPK1
SCHEMBL27692552 0.83 MMP9 (0.44) PPIDMMP9TACR1ALDH1A1MAPK1
SCHEMBL21284322 0.83 PPID (0.46) PPIDALDH1A1GPR142PKMMAPK1
SCHEMBL6435468 0.82 MMP1 (0.47) TACR1GPR142LTA4HPOLBRAB9A
SCHEMBL17287421 0.82 PPID (0.54) PPIDTACR1ALDH1A1GPR142LTA4H
SCHEMBL16079372 0.82 PPID (0.54) PPIDALDH1A1TSHRNPC1

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
EP-1992613-B1 PROCESS FOR PRODUCTION OF 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE AND INTERMEDIATE FOR THE PRODUCTION KYORIN SEIYAKU KK (JP) 2013-01-30 EP disclosed
US-8084622-B2 stereoselective asymmetric hydrogenation of 1-protected-4-alkoxycarbonyl-3-oxopyrrolidine, followed by ester hydrolysis, followed by amidation with cyclopropylamine; production of (3R,4S)-3-cyclopropylaminomethyl-4-fluoropyrrolidine useful as an intermediate to novel antibiotics KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20100056805-A1 Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof GOTOH TAKAYUKI 2010-03-04 US disclosed
US-7667049-B2 Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-02-23 US disclosed
US-20090023935-A1 Process for Producing 3,4-Disubstituted Pyrrolidine Derivative and Production Intermediate Thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-01-22 US disclosed
EP-1992613-A1 PROCESS FOR PRODUCTION OF 3,4-DISUBSTITUTED PYRROLIDINE DERIVATIVE AND INTERMEDIATE FOR THE PRODUCTION Kyorin Pharmaceutical Co., Ltd. (JP) 2008-11-19 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 (2 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-20090023935-A1 Process for Producing 3,4-Disubstituted Pyrrolidine Derivative and Production Intermediate Thereof HPD, DHPS, HAAO PPID 180/4885MMP9 4378/4885TACR1 3262/4885
US-20100056805-A1 Process for producing 3,4-disubstituted pyrrolidine derivative and production intermediate thereof HPD, DHPS, HAAO PPID 180/4885MMP9 4378/4885TACR1 3262/4885

“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.