SCHEMBL17007182

SCHEMBL17007182

O=P(O)(O)Cc1ccc(C(F)(F)F)cn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
ACP3 P15309 2/20 0.46
PGK1 P00558 4/20 0.45
PGK2 P07205 4/20 0.45
DAO P14920 1/20 0.43
PTGS1 P23219 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
MMP2 P08253 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9102020 0.78 ACP3 (0.54) ACP3PGK1PGK2ALDH1A1
SCHEMBL14769151 0.77 PGK1 (0.47) PGK1PGK2DAOCA12MMP2
SCHEMBL30836028 0.76 KMT2A (0.43) KMT2ADAOKDM1AMAOAMAOB
SCHEMBL17021449 0.76 KMT2A (0.43) KMT2ADAOKDM1AMAOAMAOB
SCHEMBL5262966 0.76 KMT2A (0.52) KMT2ADAOPTGS1KDM1AMAOA
SCHEMBL472531 0.76 KMT2A (0.52) KMT2ADAOPTGS1KDM1AMAOA
SCHEMBL11951542 0.75 KMT2A (0.50) KMT2ADAOKDM1AMAOAMAOB
SCHEMBL14769117 0.74 PGK1 (0.48) PGK1PGK2
Hydrochloric Acid SCHEMBL3565805 0.74 KMT2A (0.50) KMT2ADAOPTGS1KDM1AMAOA
SCHEMBL19555418 0.74 KMT2A (0.54) KMT2ADAOPTGS1KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059317-A1 YAP/TAZ-TEAD ONCOPROTEINS INHIBITORS BRIDGENE BIOSCIENCES, INC. (US) 2024-03-21 WO disclosed
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP disclosed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US disclosed
US-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 US disclosed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US disclosed
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
EP-3107898-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-12-28 EP disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US disclosed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 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 (5 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-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R KMT2A 1255/4885ACP3 4565/4885PGK1 4486/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R KMT2A 1264/4885ACP3 4609/4885PGK1 4482/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R KMT2A 1264/4885ACP3 4609/4885PGK1 4482/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R KMT2A 1255/4885ACP3 4565/4885PGK1 4486/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 KMT2A 3548/4885ACP3 1620/4885PGK1 4567/4885

“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.