SCHEMBL12435189

SCHEMBL12435189

CC(C)(C)[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.48
MMP2 P08253 2/20 0.48
MMP3 P08254 2/20 0.48
MMP7 P09237 2/20 0.48
MMP13 P45452 2/20 0.48
ADAM17 P78536 1/20 0.47
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
HPN P05981 4/20 0.45
PLAU P00749 3/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
HTR1E P28566 1/20 0.43
HTT P42858 1/20 0.43
S1PR3 Q99500 1/20 0.43
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43

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
SCHEMBL12435220 0.89 HPN (0.55) MMP1MMP2MMP3MMP7MMP13
SCHEMBL12467275 0.83 ADAM17 (0.47) MMP1MMP2MMP3MMP7MMP13
SCHEMBL19187443 0.81 HPN (0.54) MMP1MMP2MMP3MMP7MMP13
SCHEMBL6979815 0.79 SLC1A3 (0.60) MMP13ADAM17SLC1A3SLC1A2SLC1A1
SCHEMBL12401646 0.76 MMP2 (0.36) MMP1MMP2MMP3MMP7MMP13
SCHEMBL12435216 0.74 MMP2 (0.35) MMP1MMP2MMP3MMP7MMP13
SCHEMBL12435248 0.74 ALDH1A1 (0.49) MMP2MMP3SLC1A3PYGL
SCHEMBL1770556 0.73 ADAM17 (0.60) MMP1MMP2MMP3MMP7MMP13
SCHEMBL1770561 0.73 ADAM17 (0.60) MMP1MMP2MMP3MMP7MMP13
SCHEMBL1770350 0.72 MMP1 (0.67) MMP1MMP2MMP3MMP13ADAM17

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 MMP1 2251/4885MMP2 724/4885MMP3 2988/4885

“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.