SCHEMBL5843859

SCHEMBL5843859

Cc1cccc(C(=O)NC(C(=O)O)c2ccc(F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CTSK P43235 1/20 0.49
KCNK3 O14649 3/20 0.49
KCNK9 Q9NPC2 3/20 0.49
ATM Q13315 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GPR139 Q6DWJ6 1/20 0.46

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
SCHEMBL15787085 0.77 CA1 (0.55) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL15787076 0.77 CA1 (0.55) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL15787077 0.77 CA1 (0.55) S1PR1S1PR3S1PR5MEN1KMT2A
SCHEMBL10350829 0.76 NPC1 (0.59) SMN1; SMN2ALDH1A1KCNK3KCNK9SLC6A9
SCHEMBL5843534 0.75 CTSL (0.85) CTSLCTSSCTSK
SCHEMBL10269450 0.74 MEN1 (0.78) SMN1; SMN2KCNK3KCNK9MEN1KMT2A
SCHEMBL30739887 0.74 MEN1 (0.78) SMN1; SMN2KCNK3KCNK9MEN1KMT2A
SCHEMBL28693506 0.74 ALDH1A1 (0.65) SMN1; SMN2TAS1R3TAS1R1ALDH1A1KCNK3
SCHEMBL1307149 0.73 ITGB2 (0.47) ALDH1A1HDAC8HDAC6MEN1KMT2A
SCHEMBL17663832 0.73 S1PR3 (0.73) S1PR1S1PR3S1PR5

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-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 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-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE SMN1; SMN2 3203/4885CTSL 10/4885CTSS 1/4885

“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.