SCHEMBL600740

SCHEMBL600740

CC(C)(C)OC(=O)COC1CCC(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
HCRTR2 O43614 2/20 0.40
CYP2C9 P11712 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PDE5A O76074 2/20 0.37
PLA2G4B P0C869 1/20 0.37
P2RY14 Q15391 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL600741 1.00 GPR119 (0.45) GPR119HCRTR2CYP2C9MRGPRX4MAPT
SCHEMBL600827 0.87 GPR119 (0.47) GPR119HCRTR2CYP2C9
SCHEMBL600826 0.87 GPR119 (0.47) GPR119HCRTR2CYP2C9
SCHEMBL10148438 0.85 EPHX2 (0.47) GPR119ALDH1A1LMNAPLA2G4B
SCHEMBL10240973 0.82 MRGPRX4 (0.44) CYP2C9MRGPRX4MAPTALDH1A1LMNA
SCHEMBL434495 0.82 CYP2C9 (0.47) GPR119CYP2C9MRGPRX4MAPTALDH1A1
SCHEMBL434494 0.82 CYP2C9 (0.47) GPR119CYP2C9MRGPRX4MAPTALDH1A1
SCHEMBL601404 0.81 GPR119 (0.45) GPR119HCRTR2CYP11B1CYP11B2
SCHEMBL601405 0.81 GPR119 (0.45) GPR119HCRTR2CYP11B1CYP11B2
SCHEMBL10188569 0.81 GPR119 (0.49) GPR119HCRTR2

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 6 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-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
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
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO 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 GPR119 3905/4885HCRTR2 2855/4885CYP2C9 64/4885

“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.