SCHEMBL3733735

SCHEMBL3733735

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3nnc(Cc4ccc(F)cc4)s3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
RXFP1 Q9HBX9 3/20 0.47
DGAT1 O75907 1/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
GRAMD1A Q96CP6 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
NOD2 Q9HC29 1/20 0.43
GCK P35557 1/20 0.42
PTGER4 P35408 1/20 0.42
NR1H2 P55055 1/20 0.42

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
SCHEMBL3728160 0.92 ESR2 (0.46) ESR2RXFP1DGAT1MEN1KMT2A
SCHEMBL3730968 0.92 L3MBTL1 (0.51) ESR2RXFP1DGAT1MEN1KMT2A
SCHEMBL3740010 0.92 RXFP1 (0.53) ESR2RXFP1DGAT1MEN1KMT2A
SCHEMBL3725769 0.91 RXFP1 (0.49) ESR2RXFP1MEN1KMT2AKDM4E
SCHEMBL3738472 0.89 DGAT1 (0.49) ESR2RXFP1DGAT1MEN1KMT2A
SCHEMBL3732036 0.89 LMNA (0.49) ESR2RXFP1MEN1KMT2AKDM4E
SCHEMBL3727599 0.88 RXFP1 (0.47) ESR2RXFP1MEN1KMT2AKDM4E
SCHEMBL3725773 0.88 ESR2 (0.46) ESR2RXFP1MEN1KMT2AKDM4E
SCHEMBL3728807 0.88 ESR2 (0.43) ESR2RXFP1MEN1KMT2AGRAMD1A
SCHEMBL3731644 0.87 DGAT1 (0.47) ESR2DGAT1MEN1KMT2AGRAMD1A

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 3678/4885RXFP1 4654/4885DGAT1 60/4885

“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.