SCHEMBL4459274

SCHEMBL4459274

COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C19 P33261 1/20 1.00
KDM4E B2RXH2 6/20 0.75
LMNA P02545 2/20 0.75
KMT2A Q03164 6/20 0.68
MEN1 O00255 4/20 0.68
APOBEC3A P31941 1/20 0.68
APOBEC3G Q9HC16 1/20 0.68
ALDH1A1 P00352 6/20 0.66
HPGD P15428 4/20 0.66
MAPK10 P53779 1/20 0.65
MAPT P10636 5/20 0.64
GAA P10253 3/20 0.64
HSD17B10 Q99714 2/20 0.64
MAPK1 P28482 1/20 0.64
ELANE P08246 1/20 0.64
PRTN3 P24158 1/20 0.64
POLB P06746 2/20 0.60

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
SCHEMBL29378181 1.00 TSHR (1.00) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL1806599 0.88 CYP1A2 (0.79) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL11665959 0.87 TSHR (0.77) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL9339256 0.86 TSHR (0.76) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL4203434 0.86 TSHR (0.76) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL30881829 0.86 CYP2C19 (0.75) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL11045073 0.85 F10 (0.77) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL22445033 0.85 TSHR (0.74) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL6001412 0.84 CYP1A2 (0.73) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL13096476 0.84 TSHR (0.72) TSHRCYP1A2CYP2D6CYP2C19KDM4E

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
US-20170049793-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2017-02-23 US disclosed
US-20170049793-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2017-02-23 US disclosed
US-20140187510-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-07-03 US disclosed
US-20140187510-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-07-03 US disclosed
US-20120046242-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-23 US disclosed
US-20120046242-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-23 US disclosed
WO-2009076558-A1 METHODS TO ENHANCE EFFECTIVENESS OF BACILLUS THURINGIENSIS TOXINS BIOLOGICAL TARGETS, INC. (US) 2009-06-18 WO 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 (3 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-20120046242-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A TSHR 4069/4885CYP1A2 3478/4885CYP2D6 3795/4885
US-20140187510-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A TSHR 4069/4885CYP1A2 3478/4885CYP2D6 3795/4885
US-20170049793-A1 MOLECULAR ACTIVATORS OF THE WNT/BETA-CATENIN PATHWAY WNT1, CTNNB1, WNT3A TSHR 4069/4885CYP1A2 3478/4885CYP2D6 3795/4885

“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.