SCHEMBL3672218

SCHEMBL3672218

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.51
MAPT P10636 2/20 0.39
PDE5A O76074 8/20 0.35
P2RY14 Q15391 1/20 0.35
CYP2C9 P11712 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
ELANE P08246 1/20 0.34
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MLYCD O95822 1/20 0.33

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
SCHEMBL10147933 0.90 ESR2 (0.51) ESR2MAPTCYP2C9ELANENAMPT
SCHEMBL664682 0.87 ESR2 (0.49) ESR2MAPTALDH1A1
SCHEMBL5534578 0.86 ESR2 (0.67) ESR2CYP2C9NAMPT
SCHEMBL601877 0.84 ESR2 (0.61) ESR2MAPTCYP2C9ALDH1A1LMNA
SCHEMBL25447088 0.81 ESR2 (0.48) ESR2MAPTPDE5AP2RY14NAMPT
SCHEMBL613126 0.78 HDAC2 (0.44) MAPTPDE5AP2RY14CYP2C9MRGPRX4
SCHEMBL613127 0.78 HDAC2 (0.44) MAPTPDE5AP2RY14CYP2C9MRGPRX4
SCHEMBL613125 0.78 HDAC2 (0.44) MAPTPDE5AP2RY14CYP2C9MRGPRX4
SCHEMBL613128 0.78 HDAC2 (0.44) MAPTPDE5AP2RY14CYP2C9MRGPRX4
SCHEMBL10188595 0.75 NPC1 (0.42) MAPTPDE5AP2RY14CYP2C9MRGPRX4

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 8 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
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
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
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 ESR2 4767/4885MAPT 2666/4885PDE5A 444/4885

“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.