SCHEMBL3759627

SCHEMBL3759627

CC(C)(C)OC(=O)c1cc(F)c(-c2ccc(C(F)(F)F)cc2)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
RXRA P19793 4/20 0.40
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
CASP1 P29466 1/20 0.40
NTRK1 P04629 2/20 0.40
NTRK2 Q16620 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
DHODH Q02127 3/20 0.38
PTPN1 P18031 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
SCN9A Q15858 1/20 0.36
TRPV1 Q8NER1 3/20 0.36

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
SCHEMBL3749628 0.87 RORB (0.43) RXRANR1H2NR1H3MEN1MAPT
SCHEMBL3745471 0.82 KEAP1 (0.54) APPRXRACASP1NTRK1NTRK2
SCHEMBL3747102 0.82 NTRK1 (0.39) APPRXRANR1H2NR1H3NTRK1
SCHEMBL3540349 0.78 KEAP1 (0.57) APPHSP90AA1
SCHEMBL24980126 0.74 HTR5A (0.38) NTRK1NTRK2MEN1KMT2A
SCHEMBL24987852 0.73 PLAU (0.43) NTRK1NTRK2DHODHKDM4EMAPT
SCHEMBL3538784 0.73 LMNA (0.41) APPMAPTKMT2ASCN9A
SCHEMBL4796423 0.73 KEAP1 (0.41) APPKMT2ASCN9A
SCHEMBL3758404 0.72 RORB (0.43) RXRANR1H2NR1H3KDM4EMEN1
SCHEMBL25149142 0.72 KDM4E (0.48) CASP1NTRK1DHODHKDM4EMEN1

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 APP 2067/4885RXRA 109/4885NR1H2 402/4885

“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.