SCHEMBL12435248

SCHEMBL12435248

CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)Oc1ccccc1)C1CCCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
METAP2 P50579 2/20 0.41
METAP1 P53582 1/20 0.41
MMP2 P08253 6/20 0.41
MMP3 P08254 3/20 0.41
FAAH O00519 1/20 0.40
SLC1A3 P43003 1/20 0.40
PYGL P06737 1/20 0.39

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
SCHEMBL464269 0.84 ALDH1A1 (0.47) ALDH1A1MMP2MMP3
SCHEMBL12435214 0.83 AAK1 (0.40) ALDH1A1MMP2MMP3
SCHEMBL28621018 0.83 ALDH1A1 (0.61) ALDH1A1RAB9AMETAP2METAP1FAAH
SCHEMBL28621017 0.83 ALDH1A1 (0.61) ALDH1A1RAB9AMETAP2METAP1FAAH
SCHEMBL12435213 0.81 MMP1 (0.38) ALDH1A1MMP2MMP3
SCHEMBL12435203 0.81 AAK1 (0.46)
SCHEMBL12435194 0.80 EPHX1 (0.41) ALDH1A1MMP2MMP3
SCHEMBL12435249 0.79 CASP3 (0.43)
SCHEMBL12435191 0.79 TSHR (0.39) ALDH1A1METAP2MMP2MMP3
SCHEMBL21478236 0.78 ALDH1A1 (0.56) ALDH1A1RAB9AMETAP2METAP1FAAH

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 ALDH1A1 1635/4885RAB9A 2867/4885METAP2 1728/4885

“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.