SCHEMBL3048826

SCHEMBL3048826

CCOC(=O)C1CCC=CCCCCNC(=O)[N+]2CC(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)CC2C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TACR3 P29371 5/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PAX8 Q06710 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
SCHEMBL3040552 0.93 CTSB (0.43) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL3049466 0.87 CTSB (0.49) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL3276524 0.85 CTSB (0.42) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL3277219 0.85 CTSB (0.42) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL3039920 0.80 CTSB (0.61) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL4404759 0.80 CTSB (0.41) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL4399871 0.79 CTSB (0.40) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL3049802 0.79 CTSB (0.51) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL3283641 0.78 CTSB (0.44) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3
SCHEMBL4615403 0.76 CTSB (0.50) CTSBKDM4ESMN1; SMN2ALDH1A1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 — — US claimed
EP-1713822-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 — — EP disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 — — US disclosed
EP-1713822-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 — — EP disclosed
WO-2005073216-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 — — WO 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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 CTSB 731/4885KDM4E 4425/4885SMN1; SMN2 1929/4885

“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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