SCHEMBL3729675

SCHEMBL3729675

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nnc(COc4cccc(F)c4)s3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ESR2 Q92731 1/20 0.46
GCK P35557 3/20 0.43
GRAMD1A Q96CP6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NPC1 O15118 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
MAP3K5 Q99683 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
WNT3A P56704 1/20 0.40

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
SCHEMBL3738472 0.92 DGAT1 (0.49) LMNAALDH1A1RXFP1ESR2GCK
SCHEMBL3725240 0.91 LMNA (0.47) LMNAALDH1A1RXFP1ESR2GCK
SCHEMBL3727174 0.91 LMNA (0.48) LMNAALDH1A1RXFP1ESR2GCK
SCHEMBL3728205 0.90 ESR2 (0.47) LMNAALDH1A1RXFP1ESR2GCK
SCHEMBL3731618 0.88 ESR2 (0.46) LMNAALDH1A1ESR2GCKGRAMD1A
SCHEMBL3726888 0.88 ESR2 (0.47) LMNAALDH1A1RXFP1ESR2GCK
SCHEMBL3729140 0.88 SMN1; SMN2 (0.49) LMNAALDH1A1RXFP1ESR2GCK
SCHEMBL3729473 0.88 ESR2 (0.51) LMNAALDH1A1RXFP1ESR2GRAMD1A
SCHEMBL3738185 0.87 MAPT (0.48) LMNAALDH1A1RXFP1ESR2GCK
SCHEMBL3727461 0.87 ESR2 (0.48) LMNAALDH1A1RXFP1ESR2GCK

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 LMNA 2761/4885ALDH1A1 458/4885RXFP1 4654/4885

“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.