SCHEMBL3039922

SCHEMBL3039922

CCOC(=O)C12CC1C=CCCCCN(C)C(=O)C1CC(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)CC1C(=O)N2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.77
▸ CTSS P25774 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ TACR3 P29371 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 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
SCHEMBL8286783 1.00 CTSB (0.77) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3039916 1.00 CTSB (0.77) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8248465 0.93 CTSB (0.67) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL19093889 0.93 CTSB (0.81) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL12017053 0.93 CTSB (0.81) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3049462 0.90 CTSB (0.62) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL3049467 0.90 CTSB (0.62) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL8286271 0.90 CTSB (0.62) CTSBCTSSKDM4EALDH1A1SMN1; SMN2
SCHEMBL13501931 0.90 CTSB (0.62) CTSBCTSSKDM4EALDH1A1ADRB3
SCHEMBL3050935 0.88 CTSB (0.63) CTSBCTSSKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 — — US claimed
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 — — US disclosed
EP-1713823-B1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-11-11 — — EP disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 — — US disclosed
EP-1713823-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 — — EP disclosed
WO-2005073195-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-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 CTSB 126/4885CTSS 69/4885KDM4E 4614/4885

“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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