SCHEMBL13873518

SCHEMBL13873518

COc1ccc(CCNC(=O)N2CCC(S(=O)(=O)c3ccccc3)C2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ GAA P10253 3/20 0.56
▸ MAPT P10636 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ TSHR P16473 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL13873505 0.94 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL13873723 0.87 MMP1 (0.59) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL13873520 0.85 HTR2A (0.56) ALDH1A1SMN1; SMN2GAARAB9AKMT2A
SCHEMBL13873734 0.83 HTR2A (0.49) ALDH1A1GAAKMT2AMEN1CYP2C19
SCHEMBL13873515 0.82 NAMPT (0.47) RAB9AKMT2AMEN1TSHRKDM4E
SCHEMBL13873528 0.81 CA1 (0.49) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL13873703 0.81 MMP1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL13873530 0.80 HTR2A (0.48) ALDH1A1SMN1; SMN2GAA
SCHEMBL13873694 0.79 ALDH1A1 (0.59) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL13873506 0.78 HTR2A (0.62) ALDH1A1GAAKMT2AMEN1TSHR

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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