SCHEMBL19567

SCHEMBL19567

CCOC(=O)CC(=O)C(F)(F)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 2/20 0.34
SOAT1 P35610 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL27165197 0.90 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15286697 0.85 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL77331 0.83 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4308487 0.83 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7406648 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7210415 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7232689 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3265478 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
Water SCHEMBL10546276 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6248725 0.81 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 US disclosed
US-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 US disclosed
EP-4038054-A1 PYRIMIDINEDIONE DERIVATIVES Bayer Aktiengesellschaft (DE) 2022-08-10 EP disclosed
US-11299463-B2 Process for the manufacture of pyrazoles or pyrimidones FUJIAN YONGJING TECHNOLOGY CO., LTD. (CN) 2022-04-12 US disclosed
CN-111072566-B Preparation method and application of pyrazole derivative 宿迁市科莱博生物化学有限公司 2022-02-08 CN disclosed
CN-107663172-B Preparation method of pyrazole derivative 宿迁市科莱博生物化学有限公司 2021-04-16 CN disclosed
CN-108368055-B Preparation method of 3-fluoroalkyl-1-methylpyrazole-4-carboxylic acid 宿迁市科莱博生物化学有限公司 2021-04-16 CN disclosed
WO-2021063821-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 WO disclosed
WO-2021063821-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 WO disclosed
EP-3650443-A1 CONTINUOUS FLOW SYNTHESIS OF FLUORINATED OR NON-FLUORINATED PYRAZOLES Fujian Yongjing Technology Co., Ltd. (CN) 2020-05-13 EP disclosed
WO-2012010692-A1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2012-01-26 WO disclosed
US-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) MERCK SHARP & DOHME LLC 2011-09-29 US disclosed
EP-2358716-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) Schering Corporation (US) 2011-08-24 EP disclosed
WO-2010056631-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) SCHERING CORPORATION (US) 2010-05-20 WO disclosed
US-7585998-B2 Method for producing difluoro-acetyl-acetic acid alkylesters BAYER CROPSCIENCE AG (DE) 2009-09-08 US disclosed
US-7585998-B2 Method for producing difluoro-acetyl-acetic acid alkylesters BAYER CROPSCIENCE AG (DE) 2009-09-08 US disclosed
US-7585998-B2 Method for producing difluoro-acetyl-acetic acid alkylesters BAYER CROPSCIENCE AG (DE) 2009-09-08 US disclosed
US-20060149091-A1 Method for producing difluoro-acetyl-acetic acid alkylesters BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-06 US disclosed
US-20010031865-A1 Substituted 3-phenyluracils KLINTZ RALF (DE) 2001-10-18 US disclosed
US-6239074-B1 HERBICIDES, INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-05-29 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-20110237575-A1 INHIBITORS OF FATTY ACID BINDING PROTEIN (FABP) FABP4, FABP1, FABP3 GAA 918/4885MGAM 1074/4885SI 851/4885
US-11299463-B2 Process for the manufacture of pyrazoles or pyrimidones DHFR, CYP4X1, CYP2F1 GAA 4000/4885MGAM 956/4885SI 297/4885
US-20060149091-A1 Method for producing difluoro-acetyl-acetic acid alkylesters APEH, ACACA, NAT1 GAA 1091/4885MGAM 2250/4885SI 363/4885
US-20010031865-A1 Substituted 3-phenyluracils CCR1, CCR6, CCR3 GAA 3824/4885MGAM 2737/4885SI 1928/4885
US-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES DPYD, TYMP, TYMS GAA 1875/4885MGAM 4763/4885SI 3141/4885

“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.