SCHEMBL12435220

SCHEMBL12435220

CC(C)(C)[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C1CCCCC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPN P05981 8/20 0.55
PLAU P00749 6/20 0.55
MMP2 P08253 6/20 0.51
MMP1 P03956 4/20 0.51
MMP3 P08254 4/20 0.51
MMP13 P45452 4/20 0.51
MMP7 P09237 3/20 0.51
ADAM17 P78536 1/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL19187443 0.92 HPN (0.54) HPNPLAUMMP2MMP1MMP3
SCHEMBL12435189 0.89 MMP1 (0.48) HPNPLAUMMP2MMP1MMP3
SCHEMBL12467275 0.85 ADAM17 (0.47) HPNPLAUMMP2MMP1MMP3
SCHEMBL12401646 0.82 MMP2 (0.36) HPNPLAUMMP2MMP1MMP3
SCHEMBL12435216 0.80 MMP2 (0.35) HPNPLAUMMP2MMP1MMP3
SCHEMBL19187604 0.79 MMP2 (0.43) HPNPLAUMMP2MMP1MMP3
SCHEMBL12435248 0.77 ALDH1A1 (0.49) MMP2MMP3
SCHEMBL464269 0.75 ALDH1A1 (0.47) MMP2MMP3TSHR
SCHEMBL8285470 0.74 PLAU (0.42) HPNPLAU
SCHEMBL12435214 0.73 AAK1 (0.40) MMP2MMP1MMP3MMP13MMP7

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
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

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 HPN 218/4885PLAU 2785/4885MMP2 724/4885

“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.