SCHEMBL613125

SCHEMBL613125

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.44
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
P2RY14 Q15391 1/20 0.35
PDE5A O76074 6/20 0.34
GPR119 Q8TDV5 2/20 0.34
RARG P13631 2/20 0.33
RARB P10826 1/20 0.33
NAMPT P43490 1/20 0.33
CYP2D6 P10635 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
SCHEMBL613127 1.00 HDAC2 (0.44) HDAC2MAPTCYP2C9MRGPRX4ALDH1A1
SCHEMBL613126 1.00 HDAC2 (0.44) HDAC2MAPTCYP2C9MRGPRX4ALDH1A1
SCHEMBL613128 1.00 HDAC2 (0.44) HDAC2MAPTCYP2C9MRGPRX4ALDH1A1
SCHEMBL14974016 0.89 CYP2C9 (0.50) HDAC2MAPTCYP2C9ALDH1A1LMNA
SCHEMBL14974012 0.89 CYP2C9 (0.50) HDAC2MAPTCYP2C9ALDH1A1LMNA
SCHEMBL14974015 0.89 CYP2C9 (0.50) HDAC2MAPTCYP2C9ALDH1A1LMNA
SCHEMBL14974014 0.89 CYP2C9 (0.50) HDAC2MAPTCYP2C9ALDH1A1LMNA
SCHEMBL601200 0.84 LMNA (0.41) HDAC2MAPTCYP2C9ALDH1A1LMNA
SCHEMBL601199 0.84 LMNA (0.41) HDAC2MAPTCYP2C9ALDH1A1LMNA
SCHEMBL601198 0.84 LMNA (0.41) HDAC2MAPTCYP2C9ALDH1A1LMNA

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 HDAC2 549/4885MAPT 2666/4885CYP2C9 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.