SCHEMBL4156010

SCHEMBL4156010

Cc1nn(-c2cccnc2)c(-c2cccc(Cl)c2)c1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MDM2 Q00987 1/20 0.42
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
TBXAS1 P24557 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PKM P14618 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPY5R Q15761 1/20 0.39
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
P2RX7 Q99572 4/20 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
SCHEMBL3833333 0.88 CYP1A2 (0.50) MAPTSLC16A3SLC16A1PTGDR2KDM4E
SCHEMBL11255264 0.86 CYP1A2 (0.50) POLBMDM2RXRARXRBRXRG
SCHEMBL1195159 0.77 CYP2C9 (0.62) POLBPTGDR2P2RX7
SCHEMBL4158179 0.77 MEN1 (0.50) GAAKDM4EMYCWDR5
SCHEMBL11242627 0.76 CYP1A2 (0.52) LMNAGAAMAPTPTGDR2KDM4E
SCHEMBL11252577 0.76 CYP1A2 (0.52) LMNAMAPTKDM4EP2RX7
SCHEMBL11253889 0.76 P2RX7 (0.59) PKMPTGDR2P2RX7
SCHEMBL3835898 0.75 PTGDR2 (0.47) POLBGAAMAPTPTGDR2KDM4E
SCHEMBL11254556 0.73 PTGDR2 (0.47) MDM2RXRARXRBRXRGPTGDR2
SCHEMBL11247967 0.72 CYP2C9 (0.56) LMNAPOLBGAAMAPTPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106213-B1 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOL-4-YL-ACETIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDE AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2015-02-11 EP disclosed
US-8252723-B2 Substituted 1-(3-pyridinyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-08-28 US disclosed
US-20090036310-A1 Substituted 1-(3-pyridinyl)pyrazol-4-ylacetic Acids, Processes for Their Preparation and Their Use as Herbicides and Plant Growth Regulators BAYER CORPSCIENCE GMBH (DE) 2009-02-05 US disclosed
EP-1938686-A1 Substituted 1-(3-pyridinyl)pyrazol-4-yl-acetic acids, process for their preparation and their use as herbicide and plant growth regulator. Bayer CropScience AG (DE) 2008-07-02 EP 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 (1 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-20090036310-A1 Substituted 1-(3-pyridinyl)pyrazol-4-ylacetic Acids, Processes for Their Preparation and Their Use as Herbicides and Plant Growth Regulators DDT, DDC, HPD MARS1 2210/4885LMNA 4112/4885POLB 4510/4885

“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.