SCHEMBL433358

SCHEMBL433358

COC(=O)C1CCC(Oc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.57
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
FAAH O00519 4/20 0.53
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
SRD5A1 P18405 1/20 0.47
PARP10 Q53GL7 1/20 0.46
SRD5A2 P31213 1/20 0.46

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
SCHEMBL601086 1.00 EPHX2 (0.57) EPHX2ALDH1A1LMNACASP3SENP8
SCHEMBL602162 1.00 EPHX2 (0.57) EPHX2ALDH1A1LMNACASP3SENP8
SCHEMBL10148464 0.91 ALDH1A1 (0.51) EPHX2ALDH1A1LMNACASP3SENP8
SCHEMBL10148457 0.91 ALDH1A1 (0.51) EPHX2ALDH1A1LMNACASP3SENP8
SCHEMBL14984451 0.88 EPHX2 (0.54) EPHX2ALDH1A1TDP1FAAHCA1
SCHEMBL14984454 0.88 SMN1; SMN2 (0.49) EPHX2ALDH1A1LMNAFAAHPARP10
SCHEMBL459829 0.87 PARP10 (0.65) EPHX2ALDH1A1CASP3SENP8SENP6
SCHEMBL459828 0.87 PARP10 (0.65) EPHX2ALDH1A1CASP3SENP8SENP6
SCHEMBL601885 0.87 PARP10 (0.45) EPHX2ALDH1A1FAAHPARP10
SCHEMBL601886 0.87 PARP10 (0.45) EPHX2ALDH1A1FAAHPARP10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595970-B1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI SA (FR) 2015-01-07 EP disclosed
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-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 US disclosed
EP-2595970-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-29 EP disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
WO-2012011081-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2012-01-26 WO 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 (2 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 EPHX2 1111/4885ALDH1A1 126/4885LMNA 4261/4885
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L EPHX2 869/4885ALDH1A1 565/4885LMNA 1049/4885

“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.