SCHEMBL3757830

SCHEMBL3757830

CC(C)(C)OC(=O)c1c(C(F)(F)F)cc(Cl)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.41
CACNA1C Q13936 2/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1G O43497 1/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
RXRA P19793 1/20 0.34
ATR Q13535 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
LCK P06239 1/20 0.33
XPO1 O14980 1/20 0.33

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
SCHEMBL831077 0.85 NOTUM (0.41) ALDH1A1MAPK1SMN1; SMN2LMNAL3MBTL1
SCHEMBL16150656 0.81 ALDH1A1 (0.46) CYP2C9CYP2C19NPSR1ALDH1A1MAPK1
SCHEMBL9593033 0.81 ALDH1A1 (0.52) CYP2C9CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL13053995 0.80 ALDH1A1 (0.44) CACNA1BCACNA1CCACNA1HCACNA1GCYP2C9
SCHEMBL30424032 0.79 HSP90AA1 (0.40) CYP2C9CYP2C19NPSR1ALDH1A1MAPK1
SCHEMBL1235136 0.79 HSP90AA1 (0.40) CYP2C9CYP2C19NPSR1ALDH1A1MAPK1
SCHEMBL832709 0.78 ALDH1A1 (0.37) ALDH1A1MAPK1SMN1; SMN2POLBXPO1
SCHEMBL2090729 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1SMN1; SMN2XPO1KMT2A
SCHEMBL25289588 0.77 CYP2C9 (0.39) CACNA1BCACNA1CCACNA1HCYP2C9CYP2C19
SCHEMBL8214903 0.77 ALDH1A1 (0.35) CACNA1BCACNA1CCACNA1HCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 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 (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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 CACNA1B 776/4885CACNA1C 1235/4885CACNA1H 1731/4885

“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.