SCHEMBL7068007

SCHEMBL7068007

NC(CNCc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.60
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
SLC1A1 P43005 3/20 0.50
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
S1PR4 O95977 4/20 0.48
S1PR5 Q9H228 3/20 0.48
BCHE P06276 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP2D6 P10635 1/20 0.45
GRIK1 P39086 1/20 0.45

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
SCHEMBL7068003 1.00 ANPEP (0.60) ANPEPALPIPKMPTGS1XIAP
SCHEMBL23415475 1.00 ANPEP (0.60) ANPEPALPIPKMPTGS1XIAP
SCHEMBL27373338 0.84 ANPEP (0.55) ANPEPALPIPKMPTGS1XIAP
SCHEMBL13070592 0.83 ANPEP (0.54) ANPEPALPIPKMPTGS1XIAP
SCHEMBL29888629 0.83 ANPEP (0.54) ANPEPALPIPKMPTGS1XIAP
SCHEMBL5761505 0.83 ANPEP (0.54) ANPEPALPIPKMPTGS1XIAP
SCHEMBL29361690 0.82 ANPEP (0.62) ANPEPALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL5761503 0.82 ANPEP (0.53) ANPEPBCHEMEN1KMT2ACYP2D6
SCHEMBL13088679 0.81 ANPEP (0.60) ANPEPALPIPKMPTGS1XIAP
SCHEMBL25187228 0.81 CYP1A2 (0.55) ANPEPBCHEMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-03-30 US disclosed
EP-4065231-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-10-05 EP disclosed
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed
WO-2021108683-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2021-06-03 WO disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 US disclosed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 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 (2 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-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS ANPEP 2350/4885ALPI 3068/4885PKM 4239/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 ANPEP 774/4885ALPI 2337/4885PKM 2095/4885

“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.