SCHEMBL4264253

SCHEMBL4264253

CC(C)(C)OC(=O)NC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.61
CTSS P25774 3/20 0.61
GABRB1 P18505 1/20 0.48
GABRB2 P47870 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
PPARD Q03181 2/20 0.46
MAPT P10636 1/20 0.45
S1PR3 Q99500 1/20 0.45
ATM Q13315 1/20 0.45
SCN9A Q15858 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL24645190 0.90 S1PR3 (0.53) CTSKCTSSGABRB1GABRB2PPARG
SCHEMBL7047114 0.90 CTSK (0.55) CTSKCTSSGABRB1GABRB2PPARG
SCHEMBL7044030 0.87 CTSS (0.52) CTSKCTSSS1PR3ALDH1A1CYP3A4
SCHEMBL7045324 0.87 CTSS (0.61) CTSKCTSSGABRB1GABRB2S1PR3
SCHEMBL7048516 0.86 CTSS (0.54) CTSKCTSSGABRB1GABRB2S1PR3
SCHEMBL264362 0.86 CTSK (0.66) CTSKCTSSGABRB1GABRB2PPARG
SCHEMBL525862 0.86 CTSK (0.66) CTSKCTSSGABRB1GABRB2PPARG
SCHEMBL116386 0.86 CTSK (0.66) CTSKCTSSGABRB1GABRB2PPARG
SCHEMBL16171655 0.86 CTSK (0.66) CTSKCTSSGABRB1GABRB2PPARG
SCHEMBL16174111 0.86 CTSK (0.66) CTSKCTSSGABRB1GABRB2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247337-A Method for asymmetrically synthesizing 1, 2-trans-amino alcohol and derivative thereof 凯特立斯(深圳)科技有限公司 2023-12-19 CN disclosed
US-20090012061-A1 A Method of Treating Cancer MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1791969-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2008-07-02 EP disclosed
EP-1791969-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2007-06-06 EP disclosed
WO-2006031607-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2006-03-23 WO disclosed
US-20030083503-A1 Synthesis of acylated keto amides from sulfonyl amides FRANTZ DOUG E (US) 2003-05-01 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 (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-20090012061-A1 A Method of Treating Cancer KIF5B, MKI67, KIF2C CTSK 877/4885CTSS 1446/4885GABRB1 4055/4885
US-20030083503-A1 Synthesis of acylated keto amides from sulfonyl amides AADAC, ACAA2, ACSS2 CTSK 1459/4885CTSS 1044/4885GABRB1 1299/4885

“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.