SCHEMBL12435191

SCHEMBL12435191

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP1 P03956 2/20 0.37
MMP8 P22894 1/20 0.37
ADAM17 P78536 1/20 0.37
HPGD P15428 1/20 0.35
METAP2 P50579 1/20 0.35
MMP2 P08253 3/20 0.35
MMP3 P08254 2/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP6 P55212 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
CTSL P07711 1/20 0.34
KDM4E B2RXH2 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL12435214 0.87 AAK1 (0.40) ALDH1A1MMP1MMP8ADAM17MMP2
SCHEMBL12435203 0.85 AAK1 (0.46) MMP1MMP8ADAM17CTSLAAK1
SCHEMBL12435213 0.85 MMP1 (0.38) ALDH1A1MMP1MMP8ADAM17MMP2
SCHEMBL12435194 0.84 EPHX1 (0.41) TSHRALDH1A1MMP1MMP8ADAM17
SCHEMBL464269 0.83 ALDH1A1 (0.47) TSHRALDH1A1MMP2MMP3CTSL
SCHEMBL14263864 0.82 TSHR (0.44) TSHRALDH1A1NPSR1MMP1MMP2
SCHEMBL6436784 0.82 TSHR (0.44) TSHRALDH1A1NPSR1MMP1MMP2
SCHEMBL6436779 0.82 TSHR (0.44) TSHRALDH1A1NPSR1MMP1MMP2
Hydrochloric Acid SCHEMBL27509412 0.81 TSHR (0.43) TSHRALDH1A1NPSR1MMP1MMP2
SCHEMBL8505418 0.80 MMP1 (0.50) TSHRALDH1A1NPSR1MMP1MMP2

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 TSHR 4450/4885ALDH1A1 1635/4885NPSR1 3894/4885

“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.