SCHEMBL6828088

SCHEMBL6828088

CCOC(=O)[C@@]12C[C@H]1CCCCCN(C)C(=O)N1C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KCNJ1 P48048 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CASP3 P42574 2/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ BCHE P06276 2/20 0.34
▸ AR P10275 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 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
SCHEMBL6823450 1.00 POLB (0.40) POLBALDH1A1MAPTSMN1; SMN2KCNJ1
SCHEMBL2843889 0.87 POLB (0.37) POLBALDH1A1MAPTSMN1; SMN2KCNJ1
SCHEMBL6760115 0.87 POLB (0.37) POLBALDH1A1MAPTSMN1; SMN2KCNJ1
SCHEMBL8238400 0.87 POLB (0.37) POLBALDH1A1MAPTSMN1; SMN2KCNJ1
SCHEMBL2843887 0.87 POLB (0.37) POLBALDH1A1MAPTSMN1; SMN2KCNJ1
SCHEMBL14020643 0.86 POLB (0.38) POLBALDH1A1MAPTSMN1; SMN2KCNJ1
SCHEMBL6828084 0.79 HSD17B10 (0.32) —
SCHEMBL16628788 0.79 POLB (0.40) POLBALDH1A1MAPTSMN1; SMN2CYP2C9
SCHEMBL16628787 0.79 POLB (0.40) POLBALDH1A1MAPTSMN1; SMN2CYP2C9
SCHEMBL12730845 0.78 SMN1; SMN2 (0.37) POLBALDH1A1MAPTSMN1; SMN2KCNJ1

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-8183277-B2 Inhibitors of HCV replication of formula (I)** Image-1whereinW is a heterocycle of formula** Image-2and the remaining variables are as defined in the specification. TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-05-22 — — US disclosed
US-20080262058-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-10-23 — — 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-20080262058-A1 Macrocylic Inhibitors of Hepatitis C Virus HAVCR2, HCCS, EIF2AK2 POLB 763/4885ALDH1A1 2403/4885MAPT 4441/4885

“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.

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