SCHEMBL4404765

SCHEMBL4404765

CCCCOC(=O)NC12CC(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)CN1C(=O)NCCCCC=CC1CC1(C(=O)O)NC2=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.49
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ TACR3 P29371 5/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ P2RY12 Q9H244 4/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MITF O75030 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PLA2G2A P14555 1/20 0.31

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
SCHEMBL4404757 1.00 CTSB (0.49) CTSBADRB3ADRA2BADRA2CTACR3
SCHEMBL4399875 0.99 CTSB (0.48) CTSBADRB3ADRA2BADRA2CTACR3
SCHEMBL4399866 0.99 CTSB (0.48) CTSBADRB3ADRA2BADRA2CTACR3
SCHEMBL3040551 0.80 CTSB (0.57) CTSBADRB3ADRA2BADRA2CTACR3
SCHEMBL3040555 0.80 CTSB (0.57) CTSBADRB3ADRA2BADRA2CTACR3
SCHEMBL12017074 0.80 CTSB (0.57) CTSBADRB3ADRA2BADRA2CTACR3
SCHEMBL8285112 0.78 CTSB (0.66) CTSBADRB3ADRA2BADRA2CTACR3
SCHEMBL3049795 0.78 CTSB (0.66) CTSBADRB3ADRA2BADRA2CTACR3
SCHEMBL3049806 0.78 CTSB (0.66) CTSBADRB3ADRA2BADRA2CTACR3
SCHEMBL3048828 0.77 CTSB (0.54) CTSBADRB3ADRA2BADRA2CTACR3

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-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 — — US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 — — 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-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 CTSB 280/4885ADRB3 3967/4885ADRA2B 4751/4885

“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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