SCHEMBL10329633

SCHEMBL10329633

COC(=O)[C@H](Cc1ccc(N)cc1)N(C)P

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PTPRB P23467 1/20 0.40
PPIB P23284 3/20 0.39
PHLPP2 Q6ZVD8 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LNPEP Q9UIQ6 1/20 0.37
SOAT1 P35610 1/20 0.37
PPIA P62937 1/20 0.37
PPID Q08752 1/20 0.37
PPIG Q13427 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
EPOR P19235 1/20 0.36
CXCR1 P25024 1/20 0.36

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
SCHEMBL13239493 0.84 PTPRB (0.46) ESR1ESR2PTPRBPPARGPPARD
SCHEMBL12904046 0.81 MEN1 (0.51) PTPRBPPID
SCHEMBL13239488 0.81 ESR1 (0.38) ESR1ESR2PTPRBNPC1RAB9A
SCHEMBL3992599 0.80 PTPRB (0.58) ESR1ESR2PTPRBPPIBNPC1
SCHEMBL7281578 0.80 EPOR (0.54) NPC1RAB9ASOAT1EPORLTA4H
SCHEMBL2569999 0.80 PTPRB (0.50) ESR1ESR2PTPRBPPIBNPC1
SCHEMBL12904068 0.79 PTPRB (0.54) PTPRB
SCHEMBL12904044 0.79 SAE1 (0.43) ESR1ESR2PTPRBNPC1RAB9A
Hydrochloric Acid SCHEMBL3526195 0.79 PTPRB (0.56) ESR1ESR2PTPRBPPIBNPC1
SCHEMBL13239494 0.78 SMN1; SMN2 (0.40) ESR1ESR2PTPRBNPC1PPARG

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
US-8426588-B2 Phenylalanine derivatives AJINOMOTO CO, INC. (JP) 2013-04-23 US disclosed
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2012-10-04 US disclosed
US-8222405-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2012-07-17 US disclosed
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-03-17 US disclosed
US-7872125-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2011-01-18 US disclosed
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 US disclosed
US-7605165-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2009-10-20 US disclosed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 US disclosed
US-7452905-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-11-18 US 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-20090048236-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 ESR1 2563/4885ESR2 2887/4885PTPRB 513/4885
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ESR1 3096/4885ESR2 2464/4885PTPRB 615/4885
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ESR1 3096/4885ESR2 2464/4885PTPRB 615/4885

“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.