SCHEMBL13873505

SCHEMBL13873505

COc1ccc(CCNC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 4/20 0.55
▸ HTT P42858 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ TSHR P16473 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ACHE P22303 1/20 0.51
▸ BACE1 P56817 1/20 0.51

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
SCHEMBL13873518 0.94 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL13873703 0.87 MMP1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL13873506 0.84 HTR2A (0.62) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL13873717 0.82 HTR2A (0.54) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL13873502 0.82 PKM (0.50) RAB9AMEN1KMT2A
SCHEMBL13873723 0.81 MMP1 (0.59) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL13873510 0.81 CA1 (0.51) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL13873511 0.79 HTR2A (0.53) ALDH1A1SMN1; SMN2GAA
SCHEMBL13873520 0.78 HTR2A (0.56) ALDH1A1SMN1; SMN2GAARAB9AMEN1
SCHEMBL5462633 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTLMNAMEN1

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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — US disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 — — 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 ALDH1A1 385/4885SMN1; SMN2 4277/4885GAA 735/4885

“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.

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