SCHEMBL8427752

SCHEMBL8427752

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)OC(C)C)n3)nc3cc(N(C)C)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCC1)C(=C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.58
PPP3CB P16298 1/20 0.58
ABCC1 P33527 1/20 0.41
ABCC2 Q92887 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ADRB3 P13945 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CYP3A4 P08684 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
SCHEMBL8250168 0.92 CTSB (0.69) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8429632 0.88 CTSB (0.58) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13711409 0.87 CTSB (0.69) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13556595 0.85 CTSB (0.57) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8251334 0.85 CTSB (0.61) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13707474 0.85 CTSB (0.73) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8358443 0.85 CTSB (0.60) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8243873 0.84 CTSB (0.64) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8251091 0.84 CTSB (0.74) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL12670625 0.84 CTSB (0.62) CTSBPPP3CBABCC1ABCC2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229818-A1 Hepatitis C inhibitor compound BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-11-18 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-20040229818-A1 Hepatitis C inhibitor compound HAVCR2, GTF3C1, RNASE1 CTSB 342/4885PPP3CB 467/4885ABCC1 173/4885

“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.