SCHEMBL3728161

SCHEMBL3728161

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nnc(COc4cc(F)ccc4Cl)s3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
LMNA P02545 4/20 0.46
MAPK1 P28482 2/20 0.46
GLA P06280 1/20 0.46
NOD2 Q9HC29 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
GRAMD1A Q96CP6 1/20 0.40
MKNK1 Q9BUB5 2/20 0.39
GCK P35557 1/20 0.39
NR1H2 P55055 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
WNT3A P56704 1/20 0.38
MAP3K5 Q99683 3/20 0.38

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
SCHEMBL3741798 0.94 ESR2 (0.47) ESR2LMNAMAPK1GLANOD2
SCHEMBL3727225 0.93 ESR2 (0.48) ESR2LMNAMAPK1GLANOD2
SCHEMBL3727140 0.92 LMNA (0.49) ESR2LMNAMAPK1GLANOD2
SCHEMBL3738444 0.91 ESR2 (0.45) ESR2LMNAMAPK1GLANOD2
SCHEMBL3731618 0.91 ESR2 (0.46) ESR2LMNAMAPK1GLANOD2
SCHEMBL3723583 0.91 ESR2 (0.49) ESR2LMNAMAPK1GLANOD2
SCHEMBL3729897 0.91 ESR2 (0.46) ESR2LMNAMAPK1GLANOD2
SCHEMBL3726969 0.91 ESR2 (0.44) ESR2LMNAMAPK1GLANOD2
SCHEMBL3728322 0.89 ESR2 (0.44) ESR2LMNAMAPK1GLANOD2
SCHEMBL3738185 0.89 MAPT (0.48) ESR2LMNAMAPK1GLANOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ESR2 3678/4885LMNA 2761/4885MAPK1 3108/4885

“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.