SCHEMBL6054516

SCHEMBL6054516

COC(=O)C(Cc1ccccc1)SC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ALDH1A1 P00352 4/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
MIF P14174 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL5880383 0.86 MMP8 (0.52) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL9395388 0.86 ALDH1A1 (0.46) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7820917 0.86 L3MBTL1 (0.45) ATMALDH1A1MEN1KMT2AHPGD
SCHEMBL4842827 0.83 ALPI (0.53) CYP2C9CYP2C19HSD17B10MEN1KMT2A
SCHEMBL839467 0.83 ALPI (0.53) CYP2C9CYP2C19HSD17B10MEN1KMT2A
SCHEMBL839468 0.83 ALPI (0.53) CYP2C9CYP2C19HSD17B10MEN1KMT2A
SCHEMBL8255515 0.81 ALDH1A1 (0.45) ALDH1A1CYP2C9CYP2C19HSD17B10MEN1
SCHEMBL1855181 0.81 ATM (0.48) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL27517162 0.80 ALDH1A1 (0.57) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL10956811 0.80 BIRC2 (0.60) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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
US-20060247470-A1 Process for producing optically active carboxylic acid substituted in 2-position KANEKA CORPORATION 2006-11-02 US disclosed
US-7094926-B2 Process for producing optically active carboxylic acid substituted in 2-position KANEKA CORPORATION (JP) 2006-08-22 US disclosed
US-20030144546-A1 Process for producing optically active carboxylic acid subtituted in 2-position KANEKA CORPORATION (JP) 2003-07-31 US disclosed
US-20030013903-A1 Process for crystallization of 2-acetylthio-3-phenyl-propionic acid KANEKA CORPORATION (JP) 2003-01-16 US disclosed
EP-1275642-A1 PROCESS FOR CRYSTALLIZATION OF 2-ACETYLTHIO-3-PHENYL-PROPIONIC ACID KANEKA CORPORATION (JP) 2003-01-15 EP disclosed
EP-1251115-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID SUBSTITUTED IN 2-POSITION KANEKA CORPORATION (JP) 2002-10-23 EP 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-20030144546-A1 Process for producing optically active carboxylic acid subtituted in 2-position HAO2, CA2, HACL2 ATM 1752/4885ALDH1A1 374/4885THRB 827/4885
US-20060247470-A1 Process for producing optically active carboxylic acid substituted in 2-position HAO2, CA2, HACL2 ATM 1894/4885ALDH1A1 558/4885THRB 1209/4885

“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.