SCHEMBL434831

SCHEMBL434831

COC(=O)CC1CCC(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.47
DGAT1 O75907 14/20 0.45
MRGPRX4 Q96LA9 1/20 0.42
IDO1 P14902 1/20 0.42
HAO1 Q9UJM8 1/20 0.41

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
SCHEMBL14984446 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPTCYP2C9DGAT1
SCHEMBL15043518 0.88 ALDH1A1 (0.48) ALDH1A1LMNAMAPTCYP2C9DGAT1
SCHEMBL14984444 0.88 ALDH1A1 (0.48) ALDH1A1LMNAMAPTCYP2C9DGAT1
SCHEMBL13008024 0.86 IDO1 (0.55) ALDH1A1LMNAMAPTDGAT1IDO1
SCHEMBL10197495 0.86 IDO1 (0.55) ALDH1A1LMNAMAPTDGAT1IDO1
SCHEMBL602376 0.86 CYP2C9 (0.48) ALDH1A1LMNAMAPTCYP2C9DGAT1
SCHEMBL14984455 0.86 ALDH1A1 (0.52) ALDH1A1LMNAMAPTCYP2C9DGAT1
SCHEMBL382897 0.85 ESR2 (0.56) ALDH1A1LMNAMAPTCYP2C9DGAT1
SCHEMBL382898 0.85 ESR2 (0.56) ALDH1A1LMNAMAPTCYP2C9DGAT1
SCHEMBL10197496 0.85 DGAT1 (0.47) ALDH1A1LMNAMAPTCYP2C9DGAT1

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 7 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
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
CN-103201271-A Derivatives of oxadiazole and pyridazine, their preparation and their application in therapeutics SANOFI SA 2013-07-10 CN 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

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 ALDH1A1 126/4885LMNA 4261/4885MAPT 2666/4885
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L ALDH1A1 565/4885LMNA 1049/4885MAPT 4122/4885

“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.