SCHEMBL9725660

SCHEMBL9725660

COC(=O)[C@H](N)CCC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.40
LTA4H P09960 4/20 0.39
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
DGAT1 O75907 1/20 0.34
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
CYP2D6 P10635 1/20 0.34
NOS1 P29475 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL3730273 1.00 SLC1A1 (0.40) SLC1A1LTA4HCA12CA14DGAT1
SCHEMBL1143587 1.00 SLC1A1 (0.40) SLC1A1LTA4HCA12CA14DGAT1
Hydrochloric Acid SCHEMBL1143881 0.98 SLC1A1 (0.39) SLC1A1LTA4HCA12CA14DGAT1
Hydrochloric Acid SCHEMBL25409265 0.98 SLC1A1 (0.39) SLC1A1LTA4HCA12CA14DGAT1
Hydrochloric Acid SCHEMBL3364146 0.98 SLC1A1 (0.39) SLC1A1LTA4HCA12CA14DGAT1
SCHEMBL18477 0.89 LTA4H (0.43) SLC1A1LTA4HCYP2D6NOS1MEN1
SCHEMBL1841835 0.89 LTA4H (0.43) SLC1A1LTA4HCYP2D6NOS1MEN1
SCHEMBL1654337 0.89 LTA4H (0.43) SLC1A1LTA4HCYP2D6NOS1MEN1
Water SCHEMBL3912787 0.87 LTA4H (0.42) SLC1A1LTA4HCYP2D6NOS1MEN1
SCHEMBL6893763 0.87 LTA4H (0.42) SLC1A1LTA4HCYP2D6NOS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044755-A2 EXTRACELLULAR HSP90 (EHSP90)-TARGETED RADIOPHARMACEUTICALS AND USE THEREOF Fusion Pharmaceuticals Inc. (CA) 2024-02-29 WO disclosed
US-20230150989-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-05-18 US disclosed
EP-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-5108990-A GLUTAMIC ACID DERIVATIVES ROUSSEL UCLAF (FR) 1992-04-28 US disclosed
US-5089476-A GLUTAMIC ACID DERIVATIVES ROUSSEL UCLAF (FR) 1992-02-18 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 (3 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-20230150989-A1 HERBICIDAL MALONAMIDES DDT, DHRS9, CA9 SLC1A1 1194/4885LTA4H 2536/4885CA12 548/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 SLC1A1 168/4885LTA4H 617/4885CA12 3804/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 SLC1A1 157/4885LTA4H 498/4885CA12 2443/4885

“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.