SCHEMBL6704683

SCHEMBL6704683

C[C@@H](CNc1cc(F)ccc1F)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 3/20 0.36
PKM P14618 1/20 0.36
PYGL P06737 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
CTSL P07711 3/20 0.34
CTSS P25774 3/20 0.34
CTSK P43235 2/20 0.34
MAPT P10636 2/20 0.33
KLK7 P49862 1/20 0.33
LMNA P02545 1/20 0.33
REN P00797 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
SCHEMBL4796322 0.86 RAB9A (0.34) RAB9ANPC1POLBPKMPYGL
SCHEMBL6705838 0.84 CTSS (0.43) RAB9ANPC1POLBSMN1; SMN2CTSL
SCHEMBL4796328 0.82 CTSL (0.40) RAB9ANPC1POLBCTSLCTSS
SCHEMBL4798324 0.77 ALDH1A1 (0.36) RAB9ANPC1ALDH1A1CTSLCTSS
SCHEMBL4798977 0.76 RAB9A (0.40) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL4796443 0.73 KMT2A (0.39) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL4798327 0.72 METAP2 (0.42) ALDH1A1TSHRCTSLCTSSCTSK
SCHEMBL6685915 0.72 RAB9A (0.35) RAB9ANPC1POLBPKMSMN1; SMN2
SCHEMBL4798980 0.72 NPC1 (0.41) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL4796545 0.71 PSMB8 (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ RAB9A 905/4885NPC1 82/4885POLB 3373/4885

“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.