SCHEMBL7462269

SCHEMBL7462269

CC(C)C[C@@H](C=O)NC(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
CTSL P07711 2/20 0.54
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.50
MLYCD O95822 1/20 0.49
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
CAPN1 P07384 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL7471559 0.86 CAPN1 (0.54) ALDH1A1HPGDCTSLNPC1MLYCD
SCHEMBL27474091 0.83 MAOA (0.47) ALDH1A1HPGDLMNAMLYCDSMN1; SMN2
SCHEMBL1369096 0.80 ALDH1A1 (0.57) ALDH1A1HPGDCTSLNPC1LMNA
SCHEMBL7465046 0.79 MMP2 (0.55) ALDH1A1HPGDNPC1LMNASMN1; SMN2
SCHEMBL27125731 0.78 CTSL (0.69) ALDH1A1HPGDCTSLNPC1KMT2A
SCHEMBL27002627 0.78 CTSL (0.69) ALDH1A1HPGDCTSLNPC1KMT2A
SCHEMBL7462265 0.77 CTSL (0.56) ALDH1A1HPGDCTSLNPC1LMNA
SCHEMBL7472151 0.77 CAPN1 (0.58) CAPN1
SCHEMBL12706226 0.76 ALDH1A1 (0.65) ALDH1A1HPGDCTSLNPC1LMNA
SCHEMBL2185023 0.76 MLYCD (0.65) ALDH1A1HPGDCTSLNPC1LMNA

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 ALDH1A1 3701/4885HPGD 882/4885CTSL 4/4885

“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.