SCHEMBL13873723

SCHEMBL13873723

COc1ccc(CCNC(=O)N2CCC(S(=O)(=O)c3ccccc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.59
▸ MMP3 P08254 2/20 0.59
▸ MMP7 P09237 2/20 0.59
▸ MMP9 P14780 2/20 0.59
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ ELOVL6 Q9H5J4 1/20 0.48
▸ P2RX4 Q99571 1/20 0.47
▸ MMP13 P45452 1/20 0.47

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
SCHEMBL13873703 0.94 MMP1 (0.56) MMP1MMP3MMP7MMP9MEN1
SCHEMBL13873520 0.90 HTR2A (0.56) MMP1MMP3MMP7MMP9MEN1
SCHEMBL13873734 0.88 HTR2A (0.49) MMP1MMP3MMP7MMP9MEN1
SCHEMBL13873518 0.87 ALDH1A1 (0.56) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL13873530 0.85 HTR2A (0.48) MMP1MMP3MMP7MMP9ALDH1A1
SCHEMBL13873506 0.83 HTR2A (0.62) MEN1KMT2APOLBALDH1A1
SCHEMBL13873630 0.82 SMN1; SMN2 (0.63) MMP1MMP3MMP7MMP9MEN1
SCHEMBL13873528 0.82 CA1 (0.49) MMP1MMP3MMP7MMP9MEN1
SCHEMBL13873505 0.81 ALDH1A1 (0.58) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL13873717 0.81 HTR2A (0.54) MEN1KMT2AALDH1A1SMN1; SMN2

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 MMP1 660/4885MMP3 535/4885MMP7 798/4885

“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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