SCHEMBL600744

SCHEMBL600744

C=CCOc1ccc([C@H]2CC[C@H](OCC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
RAB9A P51151 4/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 4/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR2 O43614 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 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
SCHEMBL600743 1.00 GPR119 (0.41) GPR119RAB9AMAPTNPC1POLB
SCHEMBL3668448 0.83 NPC1 (0.44) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL3668450 0.83 NPC1 (0.44) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL600826 0.81 GPR119 (0.47) GPR119HCRTR2CYP2D6
SCHEMBL600827 0.81 GPR119 (0.47) GPR119HCRTR2CYP2D6
SCHEMBL10188569 0.80 GPR119 (0.49) GPR119HCRTR2PSEN1PSEN2APH1B
SCHEMBL600741 0.79 GPR119 (0.45) GPR119MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL600740 0.79 GPR119 (0.45) GPR119MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL601404 0.78 GPR119 (0.45) GPR119HCRTR2PSEN1PSEN2APH1B
SCHEMBL601405 0.78 GPR119 (0.45) GPR119HCRTR2PSEN1PSEN2APH1B

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 GPR119 3905/4885RAB9A 3120/4885MAPT 2666/4885

“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.