SCHEMBL12324876

SCHEMBL12324876

CCOC(=O)[C@@]12C[C@H]1CCCCCCOC(=O)N1C[C@H](Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)C[C@H]1C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 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 5/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADAM17 P78536 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
SCHEMBL12324875 0.93 CTSB (0.45) CTSBKDM4EALDH1A1SMN1; SMN2ADRB3
SCHEMBL12325024 0.93 CTSB (0.45) CTSBKDM4EALDH1A1SMN1; SMN2ADRB3
SCHEMBL13335463 0.89 CTSB (0.53) CTSBKDM4EALDH1A1SMN1; SMN2ADRB3
SCHEMBL8238289 0.87 CTSB (0.57) CTSBKDM4EALDH1A1SMN1; SMN2ADRB3
SCHEMBL12325244 0.87 CTSB (0.57) CTSBKDM4EALDH1A1SMN1; SMN2ADRB3
SCHEMBL12289264 0.83 CTSB (0.56) CTSBKDM4EALDH1A1SMN1; SMN2ADRB3
SCHEMBL2431164 0.83 CTSB (0.56) CTSBKDM4EALDH1A1SMN1; SMN2ADRB3
SCHEMBL2431162 0.83 CTSB (0.56) CTSBKDM4EALDH1A1SMN1; SMN2ADRB3
SCHEMBL2431154 0.83 CTSB (0.56) CTSBKDM4EALDH1A1SMN1; SMN2ADRB3
SCHEMBL13335509 0.82 CTSB (0.56) CTSBKDM4EALDH1A1SMN1; SMN2ADRB3

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-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 — — US disclosed
US-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. 2010-05-13 — — 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 (2 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-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS NR4A1, NR4A3, NR4A2 CTSB 4085/4885KDM4E 1795/4885ALDH1A1 2026/4885
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus NR4A1, NR4A3, NR4A2 CTSB 4294/4885KDM4E 1695/4885ALDH1A1 1595/4885

“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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