SCHEMBL19125944

SCHEMBL19125944

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.73
▸ CTSS P25774 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ TACR3 P29371 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ LMNA P02545 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
SCHEMBL19093889 0.90 CTSB (0.81) CTSBCTSSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12017053 0.90 CTSB (0.81) CTSBCTSSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3039916 0.87 CTSB (0.77) CTSBCTSSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3039922 0.87 CTSB (0.77) CTSBCTSSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8286783 0.87 CTSB (0.77) CTSBCTSSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8285124 0.84 CTSB (1.00) CTSBCTSSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8284369 0.83 CTSB (0.72) CTSBCTSSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13385474 0.83 CTSB (0.71) CTSBCTSSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8244871 0.83 CTSB (0.71) CTSBCTSSKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3277879 0.82 CTSB (0.69) CTSBCTSSKDM4ESMN1; SMN2ALDH1A1

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-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

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-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 CTSB 168/4885CTSS 89/4885KDM4E 4633/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 CTSB 168/4885CTSS 89/4885KDM4E 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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