SCHEMBL600566

SCHEMBL600566

CCC(C(=O)O)C1CCC(c2ccc(C(=O)Nc3nnc(Cc4ccc(F)cc4)o3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.71
ADCY1 Q08828 9/20 0.46
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ADCY8 P40145 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 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
SCHEMBL602153 0.83 DGAT1 (1.00) DGAT1
SCHEMBL3668919 0.82 DGAT1 (0.76) DGAT1ADCY1ADCY8MAPTKDM4E
SCHEMBL601174 0.74 DGAT1 (0.84) DGAT1
SCHEMBL601393 0.68 DGAT1 (0.70) DGAT1
SCHEMBL600742 0.66 ESR2 (0.49)
SCHEMBL1171605 0.66 SLC18A3 (0.47) KDM4EALDH1A1
SCHEMBL4976355 0.66 SLC18A3 (0.47) KDM4EALDH1A1
SCHEMBL22668537 0.66 DGAT1 (0.52) DGAT1ADCY1ADCY8KDM4ELMNA
SCHEMBL4975063 0.65 IDO1 (0.48) TP53MAPTLMNA
SCHEMBL3900477 0.65 IDO1 (0.48) TP53MAPTLMNA

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-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 3495/4885ADCY1 2355/4885PPARG 1523/4885

“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.