SCHEMBL2943085

SCHEMBL2943085

O=C(O)[C@H](Cc1ccccc1)N(F)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
MDM2 Q00987 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CTRB1 P17538 3/20 0.43
CPA1 P15085 3/20 0.42
CPA3 P15088 2/20 0.42
FOLH1 Q04609 1/20 0.42
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SRR Q9GZT4 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41

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
SCHEMBL2943084 1.00 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12983651 0.83 TSHR (0.39) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5328680 0.83 ALPI (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27871890 0.83 TSHR (0.39) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7531784 0.81 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7531787 0.81 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL288097 0.80 CYP1A2 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL475786 0.80 CYP1A2 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6573490 0.80 CTRB1 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7444297 0.80 CTRB1 (0.47) ALPIPKMPTGS1XIAPSLC7A5

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-8268888-B2 Therapy of malignant neoplasias SAMNICK SAMUEL (DE) 2012-09-18 US disclosed
US-20100003268-A1 Therapy of Malignant Neoplasias SAMNICK SAMUEL 2010-01-07 US disclosed
EP-1962822-B1 THERAPY OF MALIGNANT NEOPLASIAS SAMNICK SAMUEL (DE) 2010-01-06 EP disclosed
EP-1962822-A1 THERAPY OF MALIGNANT NEOPLASIAS Samnick, Samuel (DE) 2008-09-03 EP disclosed
WO-2007079953-A2 IN VITRO METHOD TO PREDICT THE TUMOR SENSITIVITY TO PHARMACOTHERAPY AND ENDORADIOTHERAPY SAMNICK SAMUEL (DE) 2007-07-19 WO disclosed
WO-2007060011-A1 THERAPY OF MALIGNANT NEOPLASIAS SAMNICK SAMUEL (DE) 2007-05-31 WO disclosed
EP-1001764-A4 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2005-08-24 EP disclosed
EP-1001764-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-24 EP disclosed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 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-20100003268-A1 Therapy of Malignant Neoplasias VHL, PAH, FAP ALPI 1074/4885PKM 798/4885PTGS1 2267/4885

“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.