SCHEMBL3049466

SCHEMBL3049466

CCOC(=O)C1CCC=CCCCCNC(=O)C2CC(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)CC2C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TACR3 P29371 5/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PAX8 Q06710 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
SCHEMBL3049802 0.92 CTSB (0.51) CTSBALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL3039920 0.90 CTSB (0.61) CTSBALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL3048826 0.87 CTSB (0.41) CTSBALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL4615403 0.85 CTSB (0.50) CTSBALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL3049462 0.82 CTSB (0.62) CTSBALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL3049467 0.82 CTSB (0.62) CTSBALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL8286271 0.82 CTSB (0.62) CTSBALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL19093294 0.80 CTSB (0.59) CTSBALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL19093292 0.80 CTSB (0.59) CTSBALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL3040552 0.79 CTSB (0.43) CTSBALDH1A1KDM4ESMN1; SMN2TACR3

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 8 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-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 — — US disclosed
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 — — US disclosed
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 (3 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-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 CTSB 168/4885ALDH1A1 4292/4885KDM4E 4633/4885
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 CTSB 126/4885ALDH1A1 4156/4885KDM4E 4614/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 CTSB 168/4885ALDH1A1 4292/4885KDM4E 4633/4885

“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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