SCHEMBL13957553

SCHEMBL13957553

COc1cc(CC(N)C(=O)O)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
SLC7A5 Q01650 7/20 0.54
PTGS1 P23219 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
EGFR P00533 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ALOX15 P16050 1/20 0.54
HTR2A P28223 1/20 0.54
PTGS2 P35354 1/20 0.54
RECQL P46063 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NR1I2 O75469 1/20 0.50
PPARG P37231 1/20 0.50
AGTR2 P50052 1/20 0.50
MEN1 O00255 1/20 0.50

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 SCHEMBL5148631 0.98 LDHA (0.55) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL3292792 0.88 LDHA (0.56) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL3291892 0.88 LDHA (0.56) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL30013904 0.88 LDHA (0.73) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL159001 0.88 LDHA (0.73) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL29637606 0.88 LDHA (0.73) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL8009937 0.88 LDHA (0.73) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL31242504 0.88 LDHA (0.73) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL159000 0.88 LDHA (0.73) LDHASLC7A5PTGS1KDM4EUSP2
SCHEMBL30958039 0.87 ALDH1A1 (0.61) LDHASLC7A5ALDH1A1

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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US 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-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-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-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US 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 (3 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 LDHA 2323/4885SLC7A5 50/4885PTGS1 4600/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS LDHA 2166/4885SLC7A5 39/4885PTGS1 4602/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP LDHA 2322/4885SLC7A5 54/4885PTGS1 4577/4885

“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.