SCHEMBL5693283

SCHEMBL5693283

CCC1CC1(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C(N)(C(=O)OC(C)(C)C)C(C)C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.38
ABCC2 Q92887 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP3A4 P08684 1/20 0.38
CTSB P07858 2/20 0.37
PPP3CB P16298 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TACR3 P29371 6/20 0.34
CALCRL Q16602 1/20 0.34
MCL1 Q07820 2/20 0.33
CA9 Q16790 1/20 0.33
NQO2 P16083 1/20 0.32

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
SCHEMBL7945558 0.90 MCL1 (0.40) ABCC1ABCC2ABCG2CYP3A4CTSB
SCHEMBL5693290 0.87 ABCC1 (0.38) ABCC1ABCC2ABCG2CYP3A4CTSB
SCHEMBL5692638 0.87 MCL1 (0.40) CYP3A4CTSBKDM4EALDH1A1SMN1; SMN2
SCHEMBL5692554 0.87 KDM4E (0.39) ABCC1ABCC2ABCG2CYP3A4CTSB
SCHEMBL5693275 0.87 CYP3A4 (0.44) ABCC1ABCC2ABCG2CYP3A4CTSB
SCHEMBL5693312 0.86 KDM4E (0.42) CTSBKDM4EALDH1A1SMN1; SMN2TACR3
SCHEMBL14307115 0.85 MCL1 (0.40) ABCC1ABCC2ABCG2CYP3A4CTSB
SCHEMBL5692743 0.85 MCL1 (0.40) ABCC1ABCC2ABCG2CYP3A4CTSB
SCHEMBL5692649 0.83 CYP3A4 (0.44) ABCC1ABCC2ABCG2CYP3A4CTSB
SCHEMBL14282973 0.82 KDM4E (0.40) ABCC1ABCC2ABCG2CTSBKDM4E

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-1337550-B1 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
US-6872805-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-29 US disclosed
US-20020111313-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 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-20020111313-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP ABCC1 1256/4885ABCC2 3379/4885ABCG2 3761/4885

“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.