SCHEMBL2992285

SCHEMBL2992285

CCC(Cc1ccc(N)cc1)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.40
AKT1 P31749 3/20 0.38
BLM P54132 1/20 0.37
PPARA Q07869 5/20 0.37
PPARG P37231 4/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ESRRG P62508 1/20 0.36
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36
PPID Q08752 1/20 0.36
PPIG Q13427 1/20 0.36
CTSS P25774 4/20 0.36
CTSK P43235 4/20 0.36
IDO1 P14902 1/20 0.36
PPARD Q03181 2/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL2982545 1.00 PTPRB (0.40) PTPRBAKT1BLMPPARAPPARG
SCHEMBL7742081 0.85 PTPRB (0.42) PTPRBPPARAPPARGPPIDEPHX2
SCHEMBL7742079 0.85 PTPRB (0.42) PTPRBPPARAPPARGPPIDEPHX2
SCHEMBL3935734 0.84 PPARG (0.49) PPARAPPARG
SCHEMBL3935728 0.84 PPARG (0.49) PPARAPPARG
SCHEMBL7736849 0.83 PTPRB (0.48) PTPRBCA12CA1CA7CA14
SCHEMBL7742069 0.83 PTPRB (0.50) PTPRBEPHX2
SCHEMBL6107394 0.82 KDM4E (0.43) PTPRBAKT1BLMPPARAPPARG
SCHEMBL6107393 0.82 KDM4E (0.43) PTPRBAKT1BLMPPARAPPARG
SCHEMBL2711160 0.81 CA12 (0.50) AKT1PPARAPPARGCA12CA1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US claimed
US-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 US disclosed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 US disclosed
US-20090186914-A1 Phenylalanine Enamide Derivatives UCB PHARMA, S.A. (BE) 2009-07-23 US disclosed
US-7531549-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-05-12 US disclosed
US-20090105291-A1 Phenylalanine Enamide Derivatives RIGEL PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 EP disclosed
US-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 US disclosed
US-7291645-B2 Phenylalanine derivatives as alpha 4 integrin inhibitors ELAN PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-07-04 US disclosed
US-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-09 US disclosed
EP-1181266-A1 SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2002-02-27 EP disclosed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 US disclosed
WO-2002008222-A2 HETEROARYL-β-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
EP-1117657-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-07-25 EP disclosed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP disclosed
WO-2000073260-A1 SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R&D LIMITED (GB) 2000-12-07 WO disclosed
WO-2000018759-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-06 WO disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO 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-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 PTPRB 937/4885AKT1 921/4885BLM 4838/4885
US-20020086882-A1 Heteroaryl-beta-alanine derivatives as alpha 4 integrin inhibitors ITGAL, ITGB4, ITGA4 PTPRB 3615/4885AKT1 71/4885BLM 3232/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR PTPRB 1283/4885AKT1 1581/4885BLM 4515/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR PTPRB 1283/4885AKT1 1581/4885BLM 4515/4885

“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.