SCHEMBL7472149

SCHEMBL7472149

CC(C)C[C@@H]([C]=O)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CCR1 P32246 1/20 0.50
ADAM17 P78536 1/20 0.48
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
PIN1 Q13526 3/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
UTS2R Q9UKP6 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL27481258 0.88 HPGDS (0.42) CTSKCCR1ADAM17CASP1CASP3
SCHEMBL13753280 0.83 MLYCD (0.55) CTSKCCR1ADAM17CASP1CASP3
SCHEMBL27497061 0.83 TAS1R3 (0.67) CCR1ADAM17HDAC1HDAC2NPC1
SCHEMBL1607014 0.83 CTSB (0.56) CTSKMEN1KMT2ARAB9A
SCHEMBL7462665 0.82 HDAC3 (0.55) PIN1HDAC3HDAC1HDAC2MEN1
SCHEMBL27509580 0.81 CCR1 (0.59) CCR1HDAC3HDAC1HDAC2TAS1R3
SCHEMBL7465041 0.80 MMP2 (0.54) CTSKADAM17HDAC3UTS2R
SCHEMBL7463161 0.80 TAS1R3 (0.66) CTSKHDAC3HDAC1HDAC2NPC1
SCHEMBL7468967 0.80 CTNNB1 (0.43) TAS1R3TAS1R1
SCHEMBL7470459 0.80 CHRNA7 (0.41) CTSKTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1171870-C Cysteine protease inhibitors ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-20 CN claimed
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
CN-1171870-C Cysteine protease inhibitors ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-20 CN disclosed
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
CN-1255162-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-05-31 CN 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 CTSK 22/4885CCR1 861/4885ADAM17 23/4885

“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.