SCHEMBL3341133

SCHEMBL3341133

CCOC(=O)c1cnc(-c2cccc(F)c2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.53
JAK3 P52333 2/20 0.53
CSNK1D P48730 1/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 3/20 0.52
HPGD P15428 3/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.48
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL3341652 0.88 JAK2 (0.55) JAK2JAK3MAPTALDH1A1CYP1A2
SCHEMBL3344136 0.88 BAZ2B (0.46) JAK2JAK3CSNK1DMAPTALDH1A1
SCHEMBL3341192 0.86 ALDH1A1 (0.54) MAPTALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL3342166 0.85 CSNK1D (0.47) JAK2JAK3CSNK1DMAPTALDH1A1
SCHEMBL22573712 0.80 CSNK1D (0.60) JAK2JAK3CSNK1DMAPTALDH1A1
SCHEMBL15155160 0.79 CSNK1D (0.50) JAK2JAK3CSNK1DMAPTALDH1A1
SCHEMBL1327845 0.79 MAPT (0.45) MAPTALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL2009526 0.79 HPGDS (0.64) JAK2JAK3CSNK1DMAPTALDH1A1
SCHEMBL3342312 0.79 ALDH1A1 (0.54) JAK2JAK3CSNK1DMAPTALDH1A1
SCHEMBL3823018 0.77 ALDH1A1 (0.57) JAK2JAK3CSNK1DMAPTALDH1A1

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-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 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-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS PPARA, PPARD, PPARG JAK2 1106/4885JAK3 1878/4885CSNK1D 3748/4885

“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.