SCHEMBL4601596

SCHEMBL4601596

COc1ccc(CC(N)C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
SLC7A5 Q01650 5/20 0.50
PTGS1 P23219 2/20 0.49
PKM P14618 2/20 0.49
ALPI P09923 1/20 0.49
XIAP P98170 1/20 0.49
NNMT P40261 1/20 0.47
ACACB O00763 1/20 0.47
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ALOX15 P16050 1/20 0.46
HTR2A P28223 1/20 0.46
PTGS2 P35354 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4601600 1.00 HSD17B10 (0.53) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL7081683 0.87 ACACB (0.49) PKMNNMTACACBKDM4EKLKB1
SCHEMBL3604889 0.87 ACACB (0.49) PKMNNMTACACBKDM4EKLKB1
SCHEMBL25178744 0.85 ACACB (0.46) PKMNNMTACACBKDM4EKLKB1
SCHEMBL22444690 0.85 ACACB (0.46) PKMNNMTACACBKDM4EKLKB1
SCHEMBL30510332 0.85 ACACB (0.46) PKMNNMTACACBKDM4EKLKB1
SCHEMBL7945973 0.84 ACACB (0.44) PKMNNMTACACBKDM4ETPH1
SCHEMBL3861143 0.84 ACACB (0.44) PKMNNMTACACBKDM4ETPH1
SCHEMBL31370293 0.84 HSD17B10 (0.51) HSD17B10SLC7A5PTGS1PKMALPI
SCHEMBL25356889 0.82 ITGB3 (0.53) HSD17B10SLC7A5PTGS1PKMALPI

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
CN-118201966-A Human transferrin receptor binding antibody-peptide conjugates 肽梦想株式会社 2024-06-14 CN disclosed
CN-115151556-A Human transferrin receptor binding peptides JCR制药股份有限公司 2022-10-04 CN disclosed
CN-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 CN disclosed
EP-1909814-B1 Peptides for induction and enhancement of apoptosis in tumor cells GEORG AUGUST UNIVERSITÄT GÖTTINGEN STIFTUNG ÖFFENTLICHEN RECHTS OHNE BEREICH HUMANMEDIZIN (DE) 2015-06-24 EP disclosed
US-8334258-B2 Administering gonadotropin-hormone-releasing hormone (GnRH) antagonist peptide for inducing/enhancing apoptosis of breast cancer or malignant melanoma or gynaecological cancer GEORG-AUGUST-UNIVERSITÄT GÖTTINGEN STIFTUNG ÖFFENTLICHEN RECHTS (UNIVERSITÄTSMEDIZIN) (DE) 2012-12-18 US disclosed
US-20080167250-A1 Method For Induction and Enhancement of Apoptosis In Tumor Cells GEORG-AUGUST-UNIVERSITAET GOETTINGEN, STIFTUNG OEFFENTLECHEN RECHTS, BEREICH HUMANMEDIZIN (DE) 2008-07-10 US disclosed
EP-1909814-A1 METHOD FOR INDUCTION AND ENHANCEMENT OF APOPTOSIS IN TUMOR CELLS Georg-August-Universität Göttingen Stiftung des Öffentlichen Rechts (Bereich Humanmedizin) (DE) 2008-04-16 EP disclosed
WO-2007012430-A1 METHOD FOR INDUCTION AND ENHANCEMENT OF APOPTOSIS IN TUMOR CELLS GEORG-AUGUST-UNIVERSITÄT-GÖTTINGEN (DE) 2007-02-01 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 (1 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS HSD17B10 4549/4885SLC7A5 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.