SCHEMBL13620420

SCHEMBL13620420

NC(Cc1ccc(OC(F)F)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.61
SLC7A5 Q01650 2/20 0.59
PTGS1 P23219 2/20 0.58
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
XIAP P98170 1/20 0.58
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
GRB2 P62993 1/20 0.54
PPARG P37231 9/20 0.51
PPARA Q07869 8/20 0.51
CYP3A4 P08684 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HIF1A Q16665 2/20 0.51
ABCB11 O95342 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
CHRM1 P11229 1/20 0.51

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
SCHEMBL14406929 1.00 PTPN1 (0.61) PTPN1SLC7A5PTGS1ALPIPKM
Hydrochloric Acid SCHEMBL4369720 0.98 PTPN1 (0.60) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL27827419 0.87 PTPN1 (0.58) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL7360179 0.85 SLC7A5 (0.61) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL7360168 0.85 SLC7A5 (0.61) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL19759402 0.83 POLB (0.60) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL2803084 0.83 POLB (0.60) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL751608 0.83 PTPN1 (0.65) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL3510986 0.83 PTPN1 (0.65) PTPN1SLC7A5PTGS1ALPIPKM
SCHEMBL20397801 0.83 ACACB (0.53) PTPN1PKMPPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 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-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 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
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 PTPN1 4207/4885SLC7A5 50/4885PTGS1 4600/4885
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PTMS, C1S, ACP3 PTPN1 1464/4885SLC7A5 1285/4885PTGS1 1889/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS PTPN1 4124/4885SLC7A5 39/4885PTGS1 4602/4885
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS PTPN1 301/4885SLC7A5 308/4885PTGS1 3843/4885

“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.