SCHEMBL17316337

SCHEMBL17316337

O=C(O)Cc1ccc(OC2COC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.48
EPHX2 P34913 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
CA2 P00918 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
SRD5A2 P31213 2/20 0.44
AKR1B1 P15121 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PTGS1 P23219 2/20 0.42
LMNA P02545 2/20 0.42
ABCC4 O15439 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 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
SCHEMBL1812295 0.88 ACACB (0.45) ACACBEPHX2CA2CAMK2ASRD5A2
SCHEMBL1812294 0.88 ACACB (0.45) ACACBEPHX2CA2CAMK2ASRD5A2
SCHEMBL12985424 0.84 EPHX2 (0.54) ACACBEPHX2CA2CAMK2ASRD5A2
SCHEMBL17610705 0.81 PARP10 (0.56) ACACBEPHX2CA2CAMK2ASRD5A2
SCHEMBL13412909 0.81 THRA (0.55) ACACBEPHX2CA2CAMK2ATSHR
SCHEMBL2347990 0.80 THRA (0.57) ACACBEPHX2TSHRALDH1A1FFAR1
SCHEMBL17316413 0.79 ACACB (0.48) ACACBCACNA1GCACNA1HCACNA1ILMNA
SCHEMBL18591913 0.79 EPHX2 (0.47) EPHX2CA2CAMK2ASRD5A2AKR1B1
SCHEMBL17316359 0.78 PRKAB2 (0.45) CACNA1HCA2CAMK2ASRD5A2AKR1B1
SCHEMBL5690387 0.78 HRH1 (0.63) EPHX2SRD5A2HRH1CCR3KCNH2

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
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 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 (3 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G ACACB 4258/4885EPHX2 4181/4885CACNA1G 3/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ACACB 4258/4885EPHX2 4181/4885CACNA1G 3/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ACACB 4258/4885EPHX2 4181/4885CACNA1G 3/4885

“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.