SCHEMBL15059366

SCHEMBL15059366

CC(=O)c1ccc2c(c1)C(=O)OC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.46
KDM4E B2RXH2 2/20 0.41
TLK2 Q86UE8 2/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL12320049 0.88 MAPT (0.45) S100A4KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL1811733 0.87 RAB9A (0.49) RAB9AHPGDMAPTALDH1A1L3MBTL1
SCHEMBL3555266 0.82 PTPN1 (0.43) KDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7153475 0.81 KDM4E (0.50) KDM4ERAB9ANPC1CYP1A2CYP2C9
SCHEMBL15799957 0.80 FTO (0.52) RAB9ANPC1CYP1A2CYP2C9HPGD
SCHEMBL17404101 0.79 CREBBP (0.60) RAB9ANPC1
SCHEMBL2472619 0.78 MAPT (0.57) KDM4ERAB9ACYP1A2HPGDCYP2C19
SCHEMBL14567194 0.78 S100A4 (0.53) S100A4KDM4ETLK2RAB9ANPC1
SCHEMBL734522 0.76 KDM4E (0.47) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13481991 0.75 MAPT (0.66) KDM4ENPC1HPGDSMN1; SMN2MAPT

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
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 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 (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-20150152112-A1 COMPOUNDS F11, F12, F10 S100A4 906/4885KDM4E 2446/4885TLK2 3374/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 S100A4 906/4885KDM4E 2446/4885TLK2 3374/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 S100A4 2609/4885KDM4E 1342/4885TLK2 2170/4885

“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.