SCHEMBL601885

SCHEMBL601885

COC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
EPHX2 P34913 10/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
FAAH O00519 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACACB O00763 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL601886 1.00 PARP10 (0.45) PARP10ALDH1A1POLBEPHX2MEN1
SCHEMBL602162 0.87 EPHX2 (0.57) PARP10ALDH1A1EPHX2FAAH
SCHEMBL433358 0.87 EPHX2 (0.57) PARP10ALDH1A1EPHX2FAAH
SCHEMBL14984454 0.87 SMN1; SMN2 (0.49) PARP10ALDH1A1POLBEPHX2MEN1
SCHEMBL14984451 0.87 EPHX2 (0.54) PARP10ALDH1A1POLBEPHX2MEN1
SCHEMBL601086 0.87 EPHX2 (0.57) PARP10ALDH1A1EPHX2FAAH
SCHEMBL4285489 0.86 PARP10 (0.58) PARP10ALDH1A1EPHX2FAAH
SCHEMBL459829 0.85 PARP10 (0.65) PARP10ALDH1A1POLBEPHX2KMT2A
SCHEMBL459828 0.85 PARP10 (0.65) PARP10ALDH1A1POLBEPHX2KMT2A
SCHEMBL10188577 0.85 PARP10 (0.47) PARP10ALDH1A1EPHX2NPC1RAB9A

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 4 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
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI (FR) 2013-05-30 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US 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 PARP10 3840/4885ALDH1A1 126/4885POLB 1087/4885
US-20130137691-A1 DERIVATIVES OF OXADIAZOLE AND PYRIDAZINE, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS XDH, NOX3, OXA1L PARP10 2063/4885ALDH1A1 565/4885POLB 1238/4885

“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.