SCHEMBL3306198

SCHEMBL3306198

CC(C)CC(CO)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MME P08473 5/20 0.42
CNR1 P21554 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
SLC7A5 Q01650 1/20 0.38
PLA2G10 O15496 2/20 0.38
MAPT P10636 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL27651567 1.00 ALDH1A1 (0.42) ALDH1A1MMECNR1TAS1R3TAS1R1
SCHEMBL25291547 1.00 ALDH1A1 (0.42) ALDH1A1MMECNR1TAS1R3TAS1R1
Benzene SCHEMBL28850626 0.96 CNR1 (0.43) ALDH1A1MMECNR1TAS1R3TAS1R1
SCHEMBL15872915 0.84 TRPA1 (0.39) ALDH1A1MMECNR1CYP2D6CYP2C19
SCHEMBL16515196 0.84 TRPA1 (0.39) ALDH1A1MMECNR1CYP2D6CYP2C19
SCHEMBL16515197 0.84 TRPA1 (0.39) ALDH1A1MMECNR1CYP2D6CYP2C19
SCHEMBL4341862 0.84 TAS1R3 (0.42) ALDH1A1MMECNR1TAS1R3TAS1R1
SCHEMBL26965341 0.83 PLA2G10 (0.42) ALDH1A1MMETAS1R3TAS1R1MEN1
SCHEMBL27120254 0.83 PLA2G10 (0.42) ALDH1A1MMETAS1R3TAS1R1MEN1
SCHEMBL14294441 0.82 ALDH1A1 (0.52) ALDH1A1MMECNR1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2023-12-21 US disclosed
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
US-20210277001-A1 BIARYL KINASE INHIBITORS Cosmic Pet LLC 2021-09-09 US disclosed
US-10981910-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-20 US disclosed
US-20200317671-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 US disclosed
US-10723734-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
US-10544120-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-10351563-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-16 US disclosed
EP-3292124-B1 6H-ISOCHROMENO[3,4-C]PYRIDINES AND BENZO[C][1,7]NAPHTHYRIDIN-6-(5H)-ONES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-22 EP disclosed
US-20190048006-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-14 US disclosed
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 US disclosed
US-20140179725-A1 Aryl Ether-Base Kinase Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-26 US disclosed
US-20140038999-A1 Aryl Lactam Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2014-02-06 US disclosed
WO-2014022167-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
US-20130331571-A1 GLYCINE TRANSPORTER-INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-12-12 US disclosed
WO-2013134036-A1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-12 WO disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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 (15 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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS ALDH1A1 1457/4885MME 4586/4885CNR1 3281/4885
US-20140038999-A1 Aryl Lactam Kinase Inhibitors AAK1, ADCK1, ANKK1 ALDH1A1 2563/4885MME 4167/4885CNR1 4029/4885
US-20130331571-A1 GLYCINE TRANSPORTER-INHIBITING SUBSTANCES SLC1A2, SLC18A2, SLC6A1 ALDH1A1 2122/4885MME 1519/4885CNR1 909/4885
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ALDH1A1 360/4885MME 870/4885CNR1 1094/4885
US-20140179725-A1 Aryl Ether-Base Kinase Inhibitors AAK1, NCK1, ADCK1 ALDH1A1 3028/4885MME 3834/4885CNR1 3126/4885
US-10981910-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS ALDH1A1 3432/4885MME 3737/4885CNR1 4165/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ALDH1A1 434/4885MME 1071/4885CNR1 1339/4885
US-20210277001-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS ALDH1A1 3432/4885MME 3737/4885CNR1 4165/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 ALDH1A1 3253/4885MME 3551/4885CNR1 1957/4885
US-20200317671-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS ALDH1A1 3432/4885MME 3737/4885CNR1 4165/4885
US-10544120-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 ALDH1A1 2360/4885MME 3682/4885CNR1 1433/4885
US-20190048006-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS ALDH1A1 3432/4885MME 3737/4885CNR1 4165/4885
US-10351563-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS ALDH1A1 3432/4885MME 3737/4885CNR1 4165/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 ALDH1A1 982/4885MME 3933/4885CNR1 821/4885
US-10723734-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS ALDH1A1 3432/4885MME 3737/4885CNR1 4165/4885

“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.