SCHEMBL9907303

SCHEMBL9907303

COC(=O)[C@@H]1C[C@@H](NC(=O)OCC(Cl)(Cl)Cl)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.40
ANPEP P15144 6/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
BTK Q06187 1/20 0.34
P2RX3 P56373 1/20 0.34
PTPN1 P18031 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 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
SCHEMBL12480680 1.00 MMP2 (0.40) MMP2ANPEPALDH1A1POLBNR1H2
SCHEMBL7727315 0.86 BTK (0.46) MMP2ANPEPALDH1A1NR1H2NR1H3
SCHEMBL7731684 0.86 BTK (0.46) MMP2ANPEPALDH1A1NR1H2NR1H3
SCHEMBL7727313 0.86 BTK (0.46) MMP2ANPEPALDH1A1NR1H2NR1H3
SCHEMBL3894190 0.84 MMP2 (0.38) MMP2ANPEPALDH1A1POLBNR1H2
SCHEMBL14090197 0.84 MMP2 (0.38) MMP2ANPEPALDH1A1POLBNR1H2
SCHEMBL13938227 0.81 MMP2 (0.47) MMP2ANPEPALDH1A1POLBNR1H2
SCHEMBL13938226 0.81 MMP2 (0.47) MMP2ANPEPALDH1A1POLBNR1H2
SCHEMBL24538203 0.81 MMP2 (0.49) MMP2ALDH1A1POLBCYP1A2CYP3A4
SCHEMBL9006101 0.81 MMP2 (0.49) MMP2ALDH1A1POLBCYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 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-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors HAVCR2, CTRC, CTSC MMP2 82/4885ANPEP 86/4885ALDH1A1 894/4885

“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.