SCHEMBL6661843

SCHEMBL6661843

CCOC(=O)[C@@H](N)Cc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 3/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
PPARG P37231 2/20 0.48
PKM P14618 2/20 0.48
EPHX2 P34913 1/20 0.47
SLC15A1 P46059 1/20 0.47
NPC1 O15118 1/20 0.47
ALPI P09923 1/20 0.46

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
SCHEMBL7386985 1.00 KMT2A (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA
Hydrochloric Acid SCHEMBL6661836 0.99 KMT2A (0.55) KMT2ATDP1SLC6A2SLC6A3LMNA
Hydrochloric Acid SCHEMBL6661838 0.99 KMT2A (0.55) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2890222 0.88 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL7613530 0.87 PPARG (0.49) KMT2ATDP1LMNAMAPTALDH1A1
SCHEMBL27505413 0.86 KMT2A (0.59) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL616963 0.86 ALPI (0.61) KMT2AALDH1A1MEN1PPARGPKM
SCHEMBL132409 0.86 ALPI (0.61) KMT2AALDH1A1MEN1PPARGPKM
SCHEMBL132790 0.86 ALPI (0.61) KMT2AALDH1A1MEN1PPARGPKM
Hydrochloric Acid SCHEMBL216055 0.84 ALPI (0.59) KMT2AALDH1A1MEN1PPARGPKM

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-1056714-B1 PHENYLALANINE DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS CELLTECH THERAPEUTICS LTD (GB) 2004-08-11 EP disclosed
US-20030166691-A1 Phenylalanine derivatives ARCHIBALD SARAH CATHERINE (GB) 2003-09-04 US disclosed
US-6555562-B1 2-Carboxybenzoyl-(N'-3,5-dichloroisonicotinoyl)-L-4aminophenyl alanine, for example; inhibit the binding of alpha-4 integrins to their ligands, use to treat immune or inflammatory disorders CELLTECH R&D LIMITED (GB) 2003-04-29 US disclosed
US-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 US disclosed
EP-1044215-A1 ANTI-INFLAMMATORY PHENYLALANINE DERIVATIVES CELLTECH THERAPEUTICS LIMITED (GB) 2000-10-18 EP disclosed
WO-1999035163-A1 PHENYLALANINE DERIVATIVES CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-15 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 (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-20030166691-A1 Phenylalanine derivatives VCAM1, PAH, ITGB4 KMT2A 2084/4885TDP1 1746/4885SLC6A2 949/4885

“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.