SCHEMBL6131701

SCHEMBL6131701

N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCO

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 1/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ DPP4 P27487 3/20 0.45
▸ DPP7 Q9UHL4 3/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ MC4R P32245 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ FAP Q12884 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ SLC7A5 Q01650 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL6131700 0.99 TSHR (0.47) TSHRLMNAMMP2DPP4DPP7
SCHEMBL11651148 0.85 MMP2 (0.49) TSHRLMNAMMP2DPP4DPP7
SCHEMBL11907450 0.85 MMP2 (0.46) TSHRMMP2DPP4DPP7DPP8
SCHEMBL28998132 0.85 ALDH1A1 (0.47) LMNAMMP2DPP4DPP7DPP8
SCHEMBL30410300 0.85 ALDH1A1 (0.47) LMNAMMP2DPP4DPP7DPP8
SCHEMBL1068871 0.84 MAPT (0.50) LMNAMMP2DPP4DPP7DPP8
SCHEMBL1859542 0.84 MAPT (0.50) LMNAMMP2DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL17707255 0.83 ALDH1A1 (0.50) LMNAMMP2DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL1859934 0.83 ALDH1A1 (0.50) LMNAMMP2DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL1859938 0.83 ALDH1A1 (0.50) LMNAMMP2DPP4DPP7DPP8

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
CN-1293040-C Process for preparing phenylalanine enamide derivatives CELLTECH R&D LTD (GB) 2007-01-03 — — CN disclosed
US-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 — — US disclosed
CN-1668574-A Process for preparing phenylalanine enamide derivatives CELLTECH R&D LTD (GB) 2005-09-14 — — CN disclosed
EP-1525181-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE ENAMIDE DERIVATIVES Celltech R & D Limited (GB) 2005-04-27 — — EP disclosed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 — — US disclosed
WO-2004007428-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE ENAMIDE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-01-22 — — 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-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives NPY2R, NPY1R, NPR1 TSHR 1683/4885LMNA 1856/4885MMP2 2815/4885

“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.

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