SCHEMBL2414232

SCHEMBL2414232

CC(C)(C)C(C(=O)O)n1ccc2cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.36
CDC7 O00311 1/20 0.36
NPY5R Q15761 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
P2RX7 Q99572 1/20 0.35
PRMT5 O14744 1/20 0.35
ENPP3 O14638 1/20 0.34
PPARA Q07869 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
ALB P02768 1/20 0.34

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
SCHEMBL2487330 0.87 FFAR4 (0.36) CCR9FFAR4IRAK4NPY5RNTRK1
SCHEMBL7367610 0.82 FFAR4 (0.41) CCR9FFAR4IRAK4CDC7NPY5R
SCHEMBL3709688 0.75 CDC7 (0.43) FFAR4CDC7NPY5RKDM4EALDH1A1
SCHEMBL2419382 0.73 HDAC8 (0.34)
SCHEMBL12803570 0.72 CDC7 (0.43) FFAR4IRAK4CDC7KDM4EALDH1A1
SCHEMBL30622606 0.71 FFAR4 (0.44) CCR9FFAR4CDC7KDM4EALDH1A1
SCHEMBL2474356 0.71 FFAR4 (0.44) CCR9FFAR4CDC7KDM4EALDH1A1
SCHEMBL22320205 0.71 CDC7 (0.40) FFAR4CDC7NPY5RKDM4EALDH1A1
SCHEMBL30940225 0.71 PRMT5 (0.40) FFAR4IRAK4CDC7NPY5RKDM4E
SCHEMBL7401067 0.70 PKM (0.37) CYP11B2KDM4ETSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376484-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS Merck Serono S.A. (CH) 2011-10-19 EP disclosed
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 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 (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-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, AQP4, NDUFS3 CCR9 821/4885FFAR4 1394/4885IRAK4 865/4885

“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.