SCHEMBL16066041

SCHEMBL16066041

O=C1C[C@@H](c2ccccc2)[C@](c2cccs2)(C(F)(F)F)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.36
ALDH1A1 P00352 4/20 0.35
CTSC P53634 4/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B2 P37059 1/20 0.32
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL16055948 1.00 SLC6A9 (0.36) SLC6A9ALDH1A1CTSCCTSLCTSS
SCHEMBL16066042 1.00 SLC6A9 (0.36) SLC6A9ALDH1A1CTSCCTSLCTSS
SCHEMBL16056849 0.81 KDM1A (0.37) ALDH1A1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL16066005 0.81 KDM1A (0.37) ALDH1A1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL17525850 0.81 KDM1A (0.37) ALDH1A1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL17523294 0.77 HCAR2 (0.40) SLC6A9ALDH1A1HCAR2MAPTMAPK1
SCHEMBL17523296 0.77 HCAR2 (0.40) SLC6A9ALDH1A1HCAR2MAPTMAPK1
SCHEMBL17525848 0.75 CYP2C9 (0.42) ALDH1A1MAPTMAPK1GAAHSD17B10
SCHEMBL16065920 0.75 KDM1A (0.37) SLC6A9ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL16066007 0.75 ALDH1A1 (0.36) SLC6A9ALDH1A1SMN1; SMN2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-04-19 US disclosed
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS UNIV NANYANG TECH (SG) 2019-11-07 US disclosed
US-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-11 US disclosed
WO-2014142755-A1 ACTIVATION OF CARBONYL β-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-09-18 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 (3 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-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT SLC6A9 2425/4885ALDH1A1 96/4885CTSC 2547/4885
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT SLC6A9 2425/4885ALDH1A1 96/4885CTSC 2547/4885
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations CBR1, CBR3, CAT SLC6A9 2425/4885ALDH1A1 96/4885CTSC 2547/4885

“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.