SCHEMBL10188552

SCHEMBL10188552

CCOC(=O)CC1CCC(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SOAT1 P35610 1/20 0.43
HTR2C P28335 2/20 0.43
ATM Q13315 1/20 0.43
CYP2C9 P11712 1/20 0.43
CCRL2 O00421 1/20 0.42
KDM4E B2RXH2 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
TRPM2 O94759 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PPARG P37231 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 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
SCHEMBL14984450 0.86 DGAT1 (0.47) DGAT1ALDH1A1LMNAMAPTSOAT1
SCHEMBL16791007 0.85 DGAT1 (0.50) DGAT1ALDH1A1LMNAMAPTSOAT1
SCHEMBL17730837 0.85 POLB (0.51) DGAT1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL10188553 0.83 ESR2 (0.56) DGAT1ALDH1A1CYP2C9KDM4EJAK2
SCHEMBL16762732 0.83 ESR2 (0.56) DGAT1ALDH1A1CYP2C9KDM4EJAK2
SCHEMBL17327388 0.83 ESR2 (0.56) DGAT1ALDH1A1CYP2C9KDM4EJAK2
SCHEMBL14113473 0.82 DGAT1 (0.48) DGAT1ALDH1A1LMNAMAPTSOAT1
SCHEMBL3302331 0.82 DGAT1 (0.48) DGAT1ALDH1A1LMNAMAPTSOAT1
SCHEMBL3302329 0.82 DGAT1 (0.48) DGAT1ALDH1A1LMNAMAPTSOAT1
SCHEMBL17731272 0.82 DGAT1 (0.48) DGAT1ALDH1A1LMNASOAT1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 DGAT1 3495/4885ALDH1A1 126/4885LMNA 4261/4885

“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.