SCHEMBL6807352

SCHEMBL6807352

NC(C(=O)O)C(Cl)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
SRC P12931 1/20 0.48
DPP4 P27487 2/20 0.48
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
CTSD P07339 1/20 0.45
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
F2 P00734 1/20 0.42
TSHR P16473 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL6947260 1.00 CYP2D6 (0.48) CYP2D6SRCDPP4LMNAMAPK1
SCHEMBL14935796 1.00 CYP2D6 (0.48) CYP2D6SRCDPP4LMNAMAPK1
Methane SCHEMBL4340079 0.98 CYP2D6 (0.46) CYP2D6SRCDPP4LMNAMAPK1
Hydrochloric Acid SCHEMBL8695663 0.98 CYP2D6 (0.46) CYP2D6SRCDPP4LMNAMAPK1
SCHEMBL995792 0.83 DPP4 (0.44) CYP2D6SRCDPP4LMNACTSD
SCHEMBL28513 0.83 TDP1 (0.44) CYP2D6SRCLMNASLC1A2SLC1A3
SCHEMBL29779 0.83 TDP1 (0.44) CYP2D6SRCLMNASLC1A2SLC1A3
SCHEMBL27675527 0.82 MMP8 (0.42) CYP2D6SLC1A2SLC1A3SLC1A1TSHR
Hydrochloric Acid SCHEMBL28838130 0.82 TDP1 (0.43) CYP2D6SRCLMNASLC1A2SLC1A3
SCHEMBL6945331 0.79 KMT2A (0.56) CYP2D6DPP4LMNAMAPK1CTSD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082450-A1 Processes for producing B-halogeno-a-amino-carboxylic acids and phenylcysteine derivatives and intermediates thereof YAMASHITA KOKI (JP) 2002-06-27 US claimed
EP-1046634-A1 PROCESSES FOR PRODUCING BETA-HALOGENO-ALPHA-AMINO-CARBOXYLIC ACIDS AND PHENYLCYSTEINE DERIVATIVES AND INTERMEDIATES THEREOF KANEKA CORPORATION (JP) 2000-10-25 EP claimed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
US-20040176301-A1 p21 peptides CYCLACEL LIMITED (GB) 2004-09-09 US disclosed
EP-1046634-B1 PROCESSES FOR PRODUCING BETA-HALOGENO-ALPHA-AMINO-CARBOXYLIC ACIDS AND PHENYLCYSTEINE DERIVATIVES AND INTERMEDIATES THEREOF KANEKA CORP (JP) 2003-09-10 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 (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-20040176301-A1 p21 peptides CDK2, CDK4, CDKN1A CYP2D6 3617/4885SRC 1776/4885DPP4 1919/4885
US-20020082450-A1 Processes for producing B-halogeno-a-amino-carboxylic acids and phenylcysteine derivatives and intermediates thereof BCAT1, CBS, BCAT2 CYP2D6 524/4885SRC 1145/4885DPP4 2292/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS CYP2D6 2348/4885SRC 3133/4885DPP4 362/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP CYP2D6 2324/4885SRC 3100/4885DPP4 338/4885

“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.