SCHEMBL460661

SCHEMBL460661

Cn1cc(C(=O)O)c(C(F)Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 3/20 0.32
RAB9A P51151 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ACHE P22303 2/20 0.30
ATM Q13315 1/20 0.30
DCAF1 Q9Y4B6 1/20 0.30

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
SCHEMBL20141 0.86 IRAK4 (0.35) LMNAPOLBGAARAB9ACYP1A2
SCHEMBL3258066 0.86 GAA (0.33) LMNAPOLBGAARAB9ACYP1A2
SCHEMBL1085956 0.85 ADORA2A (0.36) LMNAPOLBGAARAB9AL3MBTL1
SCHEMBL28726067 0.84 IRAK4 (0.35) GAA
Hydrochloric Acid SCHEMBL1032497 0.84 IRAK4 (0.34) LMNAPOLBGAA
Hydrochloric Acid SCHEMBL8932295 0.84 IRAK4 (0.34) LMNAPOLBGAA
SCHEMBL8932291 0.82 CYP11B1 (0.33) LMNAPOLB
SCHEMBL11893202 0.80 PPARA (0.36) LMNAPOLBGAARAB9ACYP1A2
SCHEMBL1866000 0.80 GAA (0.36) LMNAPOLBGAA
SCHEMBL963986 0.80 BAZ2B (0.43) LMNAGAARAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595962-B1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY (BE) 2018-07-11 EP disclosed
US-8981116-B2 Process for the preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids SOLVAY SA (BE) 2015-03-17 US disclosed
EP-2595962-A1 PROCESS FOR THE PREPARATION OF ESTERS OF 1-SUBSTITUTED-3-FLUOROALKYL-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2013-05-29 EP disclosed
US-20130123510-A1 Process for the preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids SOLVAY SA (BE) 2013-05-16 US 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-7939673-B2 Process for preparing 3-dihalomethyl-pyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2011-05-10 US disclosed
US-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-12-31 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 (2 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-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES HRH4, SUV39H2, SUV39H1 LMNA 4007/4885POLB 1946/4885GAA 962/4885
US-20130123510-A1 Process for the preparation of esters of 1-substituted-3-fluoroalkyl-pyrazole-4-carboxylic acids CYP2F1, KHK, CYP4F3 LMNA 1953/4885POLB 2256/4885GAA 1327/4885

“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.