SCHEMBL13124641

SCHEMBL13124641

CCC(CC)C(NC(=O)OC)C(=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 1/20 0.34
ACACB O00763 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL5988691 0.84 ALDH1A1 (0.43) MMP1MMP2MMP3CTSSCTSK
SCHEMBL12018403 0.84 ALDH1A1 (0.43) MMP1MMP2MMP3CTSSCTSK
SCHEMBL3265293 0.84 ALDH1A1 (0.43) MMP1MMP2MMP3CTSSCTSK
SCHEMBL9972533 0.82 MMP1 (0.32) MMP1MMP2MMP3ACACBCTSS
SCHEMBL240387 0.82 ALDH1A1 (0.40) MMP1MMP2MMP3CTSSCTSK
SCHEMBL240388 0.82 ALDH1A1 (0.40) MMP1MMP2MMP3CTSSCTSK
SCHEMBL15429935 0.81 MMP1 (0.32) MMP1MMP2MMP3ACACBCTSS
SCHEMBL15429936 0.81 MMP1 (0.32) MMP1MMP2MMP3ACACBCTSS
SCHEMBL8535998 0.80 GAA (0.32) MMP1MMP2MMP3CA12CA1
SCHEMBL18771211 0.79 ALDH1A1 (0.36) MMP1MMP2MMP3ACACBALDH1A1

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-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP1 3845/4885MMP2 2627/4885MMP3 2254/4885

“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.