SCHEMBL4394579

SCHEMBL4394579

N[C@H](C(=O)O)C(F)(F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.46
PTPN1 P18031 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNN4 O15554 2/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL4403169 1.00 KIF11 (0.46) KIF11PTPN1CYP1A2CYP2D6ALDH1A1
SCHEMBL13205248 0.86 KIF11 (0.47) KIF11PTPN1ALDH1A1
SCHEMBL20326023 0.84 PARP10 (0.46) KIF11KMT2A
SCHEMBL188034 0.84 KCNN4 (0.47) KIF11PTPN1MAPTKMT2AKCNN4
SCHEMBL188035 0.84 KCNN4 (0.47) KIF11PTPN1MAPTKMT2AKCNN4
SCHEMBL30288263 0.83 CES2 (0.49) KIF11ALDH1A1TSHRMAPTKMT2A
SCHEMBL20325890 0.82 KIF11 (0.45) KIF11CYP2D6ALDH1A1TSHRMAPT
SCHEMBL20325578 0.82 KIF11 (0.45) KIF11PTPN1CA1CA2CA5A
SCHEMBL20325725 0.82 KIF11 (0.45) KIF11PTPN1ALDH1A1CA1CA2
SCHEMBL13205217 0.82 KIF11 (0.49) KIF11PTPN1ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498289-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2019-06-19 EP disclosed
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC. 2018-12-13 US disclosed
EP-2722051-B1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus SEATTLE GENETICS INC (US) 2018-11-07 EP disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
EP-2722051-A1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus Seattle Genetics, Inc. (US) 2014-04-23 EP disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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
EP-1917020-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2008-05-07 EP disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP KIF11 2588/4885PTPN1 4207/4885CYP1A2 4100/4885
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP KIF11 2588/4885PTPN1 4207/4885CYP1A2 4100/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS KIF11 2806/4885PTPN1 4124/4885CYP1A2 4197/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP KIF11 2515/4885PTPN1 4188/4885CYP1A2 4070/4885

“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.