SCHEMBL4242294

SCHEMBL4242294

N[C@@H](Cc1ccc(Br)s1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.47
PKM P14618 2/20 0.47
PTGS1 P23219 2/20 0.47
ALPI P09923 1/20 0.47
XIAP P98170 1/20 0.47
HSD17B10 Q99714 3/20 0.44
USP2 O75604 3/20 0.43
ALOX15 P16050 2/20 0.43
HIF1A Q16665 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RGS12 O14924 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
THPO P40225 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL15390388 1.00 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL4242870 1.00 SLC7A5 (0.47) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL9172559 0.87 SLC7A5 (0.55) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL16065008 0.86 CES2 (0.42) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL16131652 0.84 L3MBTL1 (0.44) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL14340878 0.83 CYP2C19 (0.48) KDM4ETDP1ALDH1A1HPGDKMT2A
SCHEMBL12219566 0.81 L3MBTL1 (0.39) KDM4ETDP1CYP3A4CYP2C9ALDH1A1
SCHEMBL12194029 0.80 L3MBTL1 (0.38) KDM4ETDP1ALDH1A1MAPTHPGD
SCHEMBL14780592 0.80 HSD17B10 (0.49) SLC7A5PKMPTGS1ALPIXIAP
Hydrochloric Acid SCHEMBL3749054 0.79 ALDH1A1 (0.40) HSD17B10KDM4EMEN1ALDH1A1POLB

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 WO disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20030105080-A1 Thienylalanine derivatives as inhibitors of cell adhesion AVENTIS PHARMA S.A. DEUTSCHLAND GMBH (DE) 2003-06-05 US disclosed
EP-1240161-A1 THIENYLALANINE DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2002-09-18 EP disclosed
WO-2001044237-A1 THIENYLALANINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-21 WO disclosed
EP-1108721-A1 Thienylalanine derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2001-06-20 EP disclosed
EP-0581250-B1 Process for biotechnical preparation of L-thienylalanines in enantiomere pure form from 2-hydroxy-3-thienyl-acrylic acids and their use HOECHST AG (DE) 1999-03-03 EP disclosed
US-5780640-A Process for the biotechnological preparation of L-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
US-5688672-A Process for the biotechnological preparation of L-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5480786-A Process for the biotechnological preparation of l-thienylalanines in enantiomerically pure form from 2-hydroxy-3-thienylacrylic acids, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
WO-1994008577-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-04-28 WO disclosed
EP-0581250-A2 Process for biotechnical preparation of L-thienylalanines in enantiomere pure form from 2-hydroxy-3-thienyl-acrylic acids and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-02 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 (6 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-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 SLC7A5 1676/4885PKM 4368/4885PTGS1 937/4885
US-20030105080-A1 Thienylalanine derivatives as inhibitors of cell adhesion VCAM1, TEK, ADGRF1 SLC7A5 659/4885PKM 1349/4885PTGS1 370/4885
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS SLC7A5 2107/4885PKM 4478/4885PTGS1 3209/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS SLC7A5 2107/4885PKM 4478/4885PTGS1 3209/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS SLC7A5 1197/4885PKM 3616/4885PTGS1 3655/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS SLC7A5 2107/4885PKM 4478/4885PTGS1 3209/4885

“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.