SCHEMBL12401646

SCHEMBL12401646

CC(C)(C)[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C1CCCCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.36
MMP3 P08254 5/20 0.36
MMP1 P03956 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP13 P45452 2/20 0.36
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
CA2 P00918 1/20 0.34
HPN P05981 3/20 0.34
PLAU P00749 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CPB2 Q96IY4 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL12435216 0.87 MMP2 (0.35) MMP2MMP3MMP1ADAM17MMP13
SCHEMBL12435220 0.82 HPN (0.55) MMP2MMP3MMP1ADAM17MMP13
SCHEMBL12435214 0.80 AAK1 (0.40) MMP2MMP3MMP1ADAM17MMP13
SCHEMBL12467275 0.79 ADAM17 (0.47) MMP2MMP3MMP1ADAM17MMP13
SCHEMBL12435253 0.78 HDAC4 (0.39) MMP2MMP3MMP1ADAM17MMP8
SCHEMBL12435203 0.77 AAK1 (0.46) MMP1ADAM17MMP8CA2
SCHEMBL12435213 0.77 MMP1 (0.38) MMP2MMP3MMP1ADAM17MMP8
SCHEMBL19200246 0.76 MMP1 (0.35) MMP2MMP3MMP1ADAM17MMP13
SCHEMBL12435194 0.76 EPHX1 (0.41) MMP2MMP3MMP1ADAM17MMP8
SCHEMBL12435189 0.76 MMP1 (0.48) MMP2MMP3MMP1ADAM17MMP13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528922-B1 POLYHETEROCYCLIC COMPOUNDS AS HCV INHIBITORS AB PHARMA LTD (CN) 2017-08-02 EP disclosed
WO-2011091757-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-08-04 WO disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 US disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 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-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 MMP2 724/4885MMP3 2988/4885MMP1 2251/4885

“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.