SCHEMBL4796548

SCHEMBL4796548

Cc1cccc(C(=O)NC(C)CCCC(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.63
▸ TAS1R3 Q7RTX0 1/20 0.57
▸ TAS1R1 Q7RTX1 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CTSL P07711 1/20 0.49
▸ GPR139 Q6DWJ6 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ RAB9A P51151 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 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
SCHEMBL28242724 0.84 TAS1R3 (0.64) ATMTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL13753637 0.82 ATM (0.64) ATMTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL14359497 0.80 ATM (0.73) ATMTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL13753576 0.80 ATM (0.73) ATMTAS1R3TAS1R1SMN1; SMN2CTSL
SCHEMBL13753777 0.79 ATM (0.71) ATMTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL17914162 0.78 ATM (0.66) ATMTAS1R3TAS1R1SMN1; SMN2ALDH1A1
SCHEMBL12900992 0.77 NPC1 (0.65) ATMSMN1; SMN2LMNAHDAC8HDAC6
SCHEMBL8527616 0.76 HPGD (0.69) SMN1; SMN2ALDH1A1LMNAHPGDRAB9A
SCHEMBL10661831 0.76 LMNA (0.68) ATMSMN1; SMN2LMNAHDAC8HDAC6
SCHEMBL13753674 0.76 HPGD (0.72) ATMTAS1R3TAS1R1SMN1; 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 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 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
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 — — WO 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 ATM 4524/4885TAS1R3 3063/4885TAS1R1 2654/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ ATM 4524/4885TAS1R3 3063/4885TAS1R1 2654/4885

“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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