SCHEMBL4798977

SCHEMBL4798977

NC(=O)C(CNc1cc(F)ccc1Cl)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 3/20 0.35
OPRL1 P41146 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
CTSS P25774 2/20 0.32
LMNA P02545 1/20 0.32
CTSL P07711 2/20 0.32
CNR2 P34972 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
PARP10 Q53GL7 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
POLB P06746 1/20 0.31
METAP2 P50579 1/20 0.31
P2RX7 Q99572 1/20 0.31
CTSK P43235 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
SCHEMBL4796322 0.90 RAB9A (0.34) RAB9ANPC1ALDH1A1SMN1; SMN2CTSS
SCHEMBL4799908 0.86 TAS1R3 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2CTSS
SCHEMBL4798324 0.85 ALDH1A1 (0.36) RAB9ANPC1ALDH1A1CTSSCTSL
SCHEMBL4800282 0.84 BTK (0.34) RAB9ANPC1ALDH1A1SMN1; SMN2CTSS
SCHEMBL6688113 0.84 BTK (0.34) RAB9ANPC1ALDH1A1SMN1; SMN2CTSS
SCHEMBL4798052 0.83 CTSS (0.38) RAB9ANPC1SMN1; SMN2CTSSCTSL
SCHEMBL4797749 0.82 NPC1 (0.41) RAB9ANPC1SMN1; SMN2CTSSCTSL
SCHEMBL4796443 0.82 KMT2A (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2PARP10
SCHEMBL4799139 0.81 EPHX1 (0.36) CTSSCTSLPARP10CTSK
SCHEMBL4796956 0.80 EPHX1 (0.35) RAB9ANPC1PARP10METAP2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
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 (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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ RAB9A 905/4885NPC1 82/4885ALDH1A1 3512/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ RAB9A 905/4885NPC1 82/4885ALDH1A1 3512/4885

“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.