SCHEMBL2007107

SCHEMBL2007107

CCOC(=O)CCCn1cc2cc(Br)c(Cl)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.44
TNF P01375 11/20 0.44
PDE4B Q07343 1/20 0.39
GAA P10253 1/20 0.38
TEAD2 Q15562 1/20 0.38
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1980954 0.88 TNF (0.46) PDE4DTNFGAAEP300
SCHEMBL419279 0.76 TNF (0.49) TNFGAAEP300
SCHEMBL13583852 0.76 TNF (0.46) PDE4DTNFGAANPC1LMNA
SCHEMBL1981526 0.75 KMO (0.46) PDE4DTNFPDE4BGAAKAT2B
SCHEMBL13584130 0.74 TNF (0.46) PDE4DTNFGAAEP300LMNA
SCHEMBL13332356 0.74 TNF (0.41) PDE4DTNFGAAEP300
SCHEMBL1398415 0.74 TNF (0.42) PDE4DTNFGAAEP300NPC1
SCHEMBL1398590 0.74 S1PR1 (0.43) PDE4DTNFGAA
SCHEMBL1982267 0.74 TNF (0.54) TNFNPC1RAB9A
SCHEMBL13332262 0.74 ALDH1A1 (0.43) PDE4DTNFPDE4BNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 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 (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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 PDE4D 374/4885TNF 4125/4885PDE4B 260/4885

“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.