SCHEMBL12435214

SCHEMBL12435214

COC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
MMP1 P03956 4/20 0.37
MMP8 P22894 1/20 0.37
ADAM17 P78536 1/20 0.37
MMP2 P08253 10/20 0.35
MMP3 P08254 5/20 0.35
MMP13 P45452 2/20 0.34
MMP7 P09237 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MMP9 P14780 2/20 0.34
MMP14 P50281 2/20 0.34
CTSL P07711 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
REN P00797 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL12435203 0.89 AAK1 (0.46) AAK1MMP1MMP8ADAM17CA1
SCHEMBL12435213 0.89 MMP1 (0.38) AAK1MMP1MMP8ADAM17MMP2
SCHEMBL19187444 0.89 AAK1 (0.40) AAK1MMP1MMP8ADAM17MMP2
SCHEMBL12435194 0.88 EPHX1 (0.41) AAK1MMP1MMP8ADAM17MMP2
SCHEMBL12435191 0.87 TSHR (0.39) AAK1MMP1MMP8ADAM17MMP2
SCHEMBL12435248 0.83 ALDH1A1 (0.49) MMP2MMP3ALDH1A1
SCHEMBL12435253 0.82 HDAC4 (0.39) MMP1MMP8ADAM17MMP2MMP3
SCHEMBL464269 0.80 ALDH1A1 (0.47) MMP2MMP3CTSLALDH1A1
SCHEMBL6435900 0.80 MMP2 (0.44) AAK1MMP1MMP2MMP3MMP13
SCHEMBL204610 0.80 MMP2 (0.44) AAK1MMP1MMP2MMP3MMP13

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 AAK1 3546/4885MMP1 2251/4885MMP8 1685/4885

“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.