SCHEMBL600832

SCHEMBL600832

CC(C)(C)OC(=O)C1CCC(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2C9 P11712 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PDE5A O76074 5/20 0.38
P2RY14 Q15391 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ELANE P08246 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
RORC P51449 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10188595 1.00 NPC1 (0.42) NPC1RAB9ACYP2C9MRGPRX4MAPT
SCHEMBL20246540 0.84 RAB9A (0.40) NPC1RAB9ACYP2C9MAPTALDH1A1
SCHEMBL3547216 0.84 NPC1 (0.40) NPC1RAB9ACYP2C9MAPTALDH1A1
SCHEMBL3547219 0.84 NPC1 (0.40) NPC1RAB9ACYP2C9MAPTALDH1A1
SCHEMBL602055 0.82 RAB9A (0.50) NPC1RAB9ACYP2C9MAPTALDH1A1
SCHEMBL10188594 0.82 RAB9A (0.50) NPC1RAB9ACYP2C9MAPTALDH1A1
SCHEMBL601842 0.81 PDE5A (0.38) CYP2C9MRGPRX4MAPTALDH1A1LMNA
SCHEMBL10188561 0.81 PDE5A (0.38) CYP2C9MRGPRX4MAPTALDH1A1LMNA
SCHEMBL601843 0.81 PDE5A (0.38) CYP2C9MRGPRX4MAPTALDH1A1LMNA
SCHEMBL601844 0.81 PDE5A (0.38) CYP2C9MRGPRX4MAPTALDH1A1LMNA

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
EP-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
CN-102365273-A Thiadiazole and oxadiazole derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2012-02-29 CN disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP 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 NPC1 3170/4885RAB9A 3120/4885CYP2C9 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.