SCHEMBL437373

SCHEMBL437373

Cn1nc(C(F)F)c(C(=O)O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
PTGER4 P35408 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 4/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 2/20 0.32
POLB P06746 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
SCHEMBL440487 0.86 L3MBTL1 (0.36) L3MBTL1PTGER4ALDH1A1KMT2ALMNA
SCHEMBL14960654 0.86 ALDH1A1 (0.37) L3MBTL1PTGER4ALDH1A1KMT2ALMNA
SCHEMBL9373962 0.85 L3MBTL1 (0.42) L3MBTL1PTGER4ALDH1A1KMT2ALMNA
SCHEMBL28309097 0.84 L3MBTL1 (0.36) L3MBTL1PTGER4ALDH1A1KMT2ALMNA
SCHEMBL406185 0.84 L3MBTL1 (0.41) L3MBTL1ALDH1A1KMT2ALMNAMEN1
SCHEMBL16344553 0.80 L3MBTL1 (0.33) L3MBTL1PTGER4ALDH1A1KMT2ALMNA
SCHEMBL3401329 0.80 KDM4E (0.40) PTGER4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL437422 0.80 PTGER4 (0.37) PTGER4KMT2AMEN1
SCHEMBL15165797 0.80 PTGER4 (0.35) PTGER4KMT2AMEN1
SCHEMBL20550872 0.79 PTGER4 (0.34) PTGER4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560961-B1 METHOD FOR PRODUCING 5-FLUOR-1-ALKYL-3-FLUOROALKYL-1H-PYRAZOL-4-CARBOXYLIC ACID AND CHLORIDES AND FLUORIDES BAYER IP GMBH (DE) 2016-11-16 EP claimed
US-20240368088-A1 EP4 ANTAGONIST COMPOUND AS WELL AS SALT, POLYMORPH AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2024-11-07 US disclosed
EP-4397654-A1 EP4 ANTAGONIST COMPOUND AS WELL AS SALT, POLYMORPH, AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2024-07-10 EP disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
WO-2023030492-A1 EP4 ANTAGONIST COMPOUND AS WELL AS SALT, POLYMORPH, AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-03-09 WO disclosed
CN-115745892-A EP4 antagonist compound and salt, polymorphism and application thereof 武汉人福创新药物研发中心有限公司 2023-03-07 CN disclosed
EP-4116291-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCERS AND INFLAMMATIONS Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-01-11 EP disclosed
US-11230529-B2 Method of preparing 3-fluoroalkyl-1 substituted pyrazol-4-carboxylic acid by air oxidation ABA CHEMICALS (NANTONG) LIMITED (CN) 2022-01-25 US disclosed
CN-113354585-A Synthesis of novel EP4 antagonists and their use in cancer and inflammation 湖北生物医药产业技术研究院有限公司 2021-09-07 CN disclosed
EP-3000809-B1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER IP GMBH (DE) 2018-10-31 EP disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 US disclosed
WO-2011151383-A1 O-CYCLOPROPYLCYCLOHEXYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-08 WO disclosed
WO-2011151383-A1 O-CYCLOPROPYLCYCLOHEXYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-08 WO disclosed
WO-2011151370-A1 N-[(HET)ARYLALKYL)] PYRAZOLE (THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER CROPSCIENCE AG (DE) 2011-12-08 WO disclosed
WO-2011151369-A1 N-[(HET)ARYLETHYL)] PYRAZOLE(THIO)CARBOXAMIDES AND THEIR HETEROSUBSTITUTED ANALOGUES BAYER CROPSCIENCE AG (DE) 2011-12-08 WO disclosed
WO-2010130767-A2 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-18 WO disclosed
EP-2251331-A1 Fungicide pyrazole carboxamides derivatives Bayer CropScience AG (DE) 2010-11-17 EP disclosed
EP-0623113-B1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO CO (US) 1997-03-05 EP disclosed
US-5223526-A For plants MONSANTO COMPANY (US) 1993-06-29 US disclosed
WO-1993011117-A1 PYRAZOLE CARBOXANILIDE FUNGICIDES MONSANTO COMPANY (US) 1993-06-10 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 (4 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-11230529-B2 Method of preparing 3-fluoroalkyl-1 substituted pyrazol-4-carboxylic acid by air oxidation HAO2, AOX1, PPOX L3MBTL1 4674/4885PTGER4 3858/4885ALDH1A1 85/4885
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION PTGER4, PTGER3, PTGER2 L3MBTL1 4188/4885PTGER4 1/4885ALDH1A1 1807/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 L3MBTL1 1962/4885PTGER4 4061/4885ALDH1A1 4241/4885
US-20240368088-A1 EP4 ANTAGONIST COMPOUND AS WELL AS SALT, POLYMORPH AND USE THEREOF PTGER4, PTGER1, PTGER2 L3MBTL1 4714/4885PTGER4 1/4885ALDH1A1 1551/4885

“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.