SCHEMBL18406885

SCHEMBL18406885

CC(C)[C@H](COC(=O)/C=C/C(=O)OC[C@H](NS(=O)(=O)c1ccccc1)C(C)C)NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 5/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MMP9 P14780 3/20 0.44
▸ MMP2 P08253 3/20 0.44
▸ MMP3 P08254 3/20 0.44
▸ MMP13 P45452 3/20 0.44
▸ MMP1 P03956 2/20 0.44
▸ MMP7 P09237 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ SLC1A3 P43003 2/20 0.40

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
SCHEMBL18406893 1.00 ADAMTS4 (0.53) ADAMTS4SMN1; SMN2MMP9MMP2MMP3
SCHEMBL18406862 0.87 SMN1; SMN2 (0.55) ADAMTS4SMN1; SMN2MMP9MMP2MMP3
SCHEMBL18406868 0.87 SMN1; SMN2 (0.55) ADAMTS4SMN1; SMN2MMP9MMP2MMP3
SCHEMBL18405689 0.84 SMN1; SMN2 (0.51) ADAMTS4SMN1; SMN2MMP9MMP2MMP3
SCHEMBL18405674 0.83 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CA2CYP2C19CA9
SCHEMBL18406894 0.82 MEN1 (0.45) ADAMTS4MMP9MMP2MMP13MMP1
SCHEMBL18406881 0.82 MEN1 (0.45) ADAMTS4MMP9MMP2MMP13MMP1
SCHEMBL18405676 0.82 SMN1; SMN2 (0.49) ADAMTS4SMN1; SMN2MMP9MMP2MMP3
SCHEMBL18406903 0.80 ALDH1A1 (0.49) MMP2ALDH1A1CYP2C19CA9CYP1A2
SCHEMBL18406895 0.80 ALDH1A1 (0.49) MMP2ALDH1A1CYP2C19CA9CYP1A2

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
US-20170022153-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — US disclosed
US-20170022153-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 — — 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-20170022153-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ADAMTS4 3104/4885SMN1; SMN2 79/4885MMP9 2266/4885

“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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