SCHEMBL7467341

SCHEMBL7467341

CC(C)C[C@@H]([C]=O)NC(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TAS1R3 Q7RTX0 8/20 0.46
TAS1R1 Q7RTX1 8/20 0.46
TAS1R2 Q8TE23 8/20 0.46
HTT P42858 3/20 0.38
RECQL P46063 1/20 0.36
TP53 P04637 3/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4169995 0.79 PKM (0.70) PKMSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL7462265 0.76 CTSL (0.56) SMN1; SMN2HTTKMT2ACTSLLMNA
SCHEMBL10618623 0.76 PKM (0.45) PKMSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL1006670 0.72 ALDH1A1 (0.50) SMN1; SMN2RECQLKMT2ALMNATDP1
SCHEMBL1006669 0.72 ALDH1A1 (0.50) SMN1; SMN2RECQLKMT2ALMNATDP1
SCHEMBL1607014 0.72 CTSB (0.56) SMN1; SMN2HTTKMT2ACTSL
SCHEMBL4178596 0.72 PKM (0.64) PKMSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL27482719 0.71 NR1H4 (0.46) SMN1; SMN2TAS1R3TAS1R1HTTKMT2A
SCHEMBL27515259 0.70 MAOA (0.47) TP53KMT2ATSHRLMNAMAPK1
SCHEMBL4166794 0.69 PKM (1.00) PKMSMN1; SMN2TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 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 (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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ PKM 3629/4885SMN1; SMN2 4738/4885TAS1R3 2410/4885

“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.