SCHEMBL5632096

SCHEMBL5632096

CC(C)(C)C(Cn1cnc(-c2ccc(C(F)(F)F)cc2)c1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
CTSV O60911 2/20 0.47
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
TLR2 O60603 4/20 0.44
TLR1 Q15399 4/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL5632091 1.00 RAB9A (0.49) RAB9AALDH1A1LMNANPSR1NPC1
SCHEMBL6402488 0.93 RAB9A (0.43) RAB9AALDH1A1LMNANPSR1NPC1
SCHEMBL6402498 0.93 RAB9A (0.43) RAB9AALDH1A1LMNANPSR1NPC1
SCHEMBL6614087 0.86 RAB9A (0.46) RAB9AALDH1A1LMNANPSR1NPC1
SCHEMBL8371338 0.86 CTSK (0.48) ALDH1A1LMNANPC1MAPTSMN1; SMN2
SCHEMBL5631408 0.83 CTSK (0.49) RAB9AMAPTSMN1; SMN2CTSKCTSS
SCHEMBL5631657 0.83 CTSK (0.49) RAB9AMAPTSMN1; SMN2CTSKCTSS
SCHEMBL6404198 0.83 CTSK (0.49) RAB9AMAPTSMN1; SMN2CTSKCTSS
SCHEMBL5629881 0.82 CTSK (0.46) RAB9ANPSR1MAPTCTSKCTSS
SCHEMBL5629875 0.82 CTSK (0.46) RAB9ANPSR1MAPTCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288541-B2 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION (US) 2007-10-30 US disclosed
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases SMITHKLINE BEECHAM CORPORATION 2005-02-24 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-20050043368-A1 Propylcarbamate derivatives as inhibitors of serine and cysteine proteases CTSK, CTSB, CTSS RAB9A 3787/4885ALDH1A1 2825/4885LMNA 3009/4885
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ RAB9A 1009/4885ALDH1A1 2900/4885LMNA 736/4885

“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.