SCHEMBL119110

SCHEMBL119110

O=C(NCc1cccc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.44
OPRD1 P41143 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
MAPK1 P28482 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
HIF1A Q16665 1/20 0.43
MEP1B Q16820 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL29679265 1.00 KMT2A (0.53) KMT2AEPHX2NR1H4OPRD1RAB9A
SCHEMBL29618948 1.00 KMT2A (0.53) KMT2AEPHX2NR1H4OPRD1RAB9A
SCHEMBL7828581 0.93 KMT2A (0.47) KMT2AEPHX2NR1H4OPRD1RAB9A
Benzoic Acid SCHEMBL27028192 0.91 KMT2A (0.56) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL22498215 0.90 KMT2A (0.55) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL5551698 0.88 KMT2A (0.49) KMT2AEPHX2OPRD1RAB9ANPC1
SCHEMBL3064762 0.88 EPHX2 (0.49) KMT2AEPHX2HIF1A
SCHEMBL1855344 0.88 EPHX2 (0.53) KMT2AEPHX2NR1H4
SCHEMBL14452747 0.87 EPHX2 (0.48) KMT2AEPHX2OPRD1FABP7FABP5
SCHEMBL3177417 0.87 KMT2A (0.62) KMT2AEPHX2OPRD1FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 US disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP disclosed
US-20210079444-A1 LABEL FREE DETECTION OF PROTEASE ACTIVITY VIB VZW (BE) 2021-03-18 US disclosed
WO-2021013978-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2021-01-28 WO disclosed
EP-3645453-A1 LABEL FREE DETECTION OF PROTEASE ACTIVITY Universiteit Gent (BE) 2020-05-06 EP disclosed
WO-2019002401-A1 LABEL FREE DETECTION OF PROTEASE ACTIVITY VIB VZW (BE) 2019-01-03 WO disclosed
EP-2358737-B1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF STEBA BIOTECH S A (LU) 2017-03-01 EP disclosed
US-9234007-B2 RGD mimetic γ-AApeptides and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2016-01-12 US disclosed
US-9119885-B2 RGD-containing peptidomimetics and uses thereof STEBA BIOTECH S.A. (LU) 2015-09-01 US disclosed
US-20030114447-A1 Small molecule inhibitors of caspases SUNESIS PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2003024955-A2 SMALL MOLECULE INHIBITORS OF CASPASES SUNESIS PHARMACEUTICALS, INC. (US) 2003-03-27 WO disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
US-6326403-B1 CARDIOVASCULAR DISORDERS MERCK PATENT GESELLSCHAFT MIT (DE) 2001-12-04 US disclosed
EP-1063982-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS Genentech, Inc. (US) 2001-01-03 EP disclosed
EP-1047709-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 2000-11-02 EP disclosed
WO-1999036431-A9 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2000-07-27 WO disclosed
US-6083908-A TREATING MEDICAL DISORDERS RESULTING FROM DEFICIENCY IN GROWTH HORMONE NOVO NORDISK A/S (DK) 2000-07-04 US disclosed
WO-1999049856-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH, INC. (US) 1999-10-07 WO disclosed
WO-1999036431-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1999-07-22 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 (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-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG KMT2A 2321/4885EPHX2 2520/4885NR1H4 764/4885
US-20030114447-A1 Small molecule inhibitors of caspases CASP1, CASP9, CASP2 KMT2A 4436/4885EPHX2 2451/4885NR1H4 2531/4885

“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.