SCHEMBL16481102

SCHEMBL16481102

CCC(C)C(=O)N1C(=O)OC[C@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IL6ST P40189 1/20 0.42
RIPK1 Q13546 3/20 0.41
IDH1 O75874 7/20 0.40
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLS O94925 2/20 0.38

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
SCHEMBL4450465 0.87 IL6ST (0.46) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL4450467 0.87 IL6ST (0.46) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL24864245 0.87 IL6ST (0.46) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL21153492 0.86 ALDH1A1 (0.51) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL21153784 0.86 ALDH1A1 (0.51) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL13040580 0.86 ALDH1A1 (0.44) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL16072765 0.86 ALDH1A1 (0.42) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL16796724 0.85 ALDH1A1 (0.44) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL16796721 0.85 ALDH1A1 (0.44) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL18844458 0.84 ALDH1A1 (0.49) ALDH1A1GAAHTTNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376410-B2 (2R)-2-deoxy-2,2-disubstituted-ribono-1,4-lactone and preparation method and use thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2016-06-28 US disclosed
US-9376410-B2 (2R)-2-deoxy-2,2-disubstituted-ribono-1,4-lactone and preparation method and use thereof TOPHARMAN SHANGHAI CO., LTD. (CN) 2016-06-28 US disclosed
US-20150284351-A1 (2R)-2-DEOXY-2,2-DISUBSTITUTED-RIBONO-1,4-LACTONE AND PREPARATION METHOD AND USE THEREOF TOPHARMAN SHANDONG CO., LTD. (CN) 2015-10-08 US disclosed
US-20150284351-A1 (2R)-2-DEOXY-2,2-DISUBSTITUTED-RIBONO-1,4-LACTONE AND PREPARATION METHOD AND USE THEREOF TOPHARMAN SHANDONG CO., LTD. (CN) 2015-10-08 US disclosed
WO-2014056442-A1 (2R)-2-DEOXY-2,2-DISUBSTITUTE-1,4-RIBOSE LACTONE AND PREPARATION METHOD AND USE THEREOF 上海特化医药科技有限公司 (CN) 2014-04-17 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-20150284351-A1 (2R)-2-DEOXY-2,2-DISUBSTITUTED-RIBONO-1,4-LACTONE AND PREPARATION METHOD AND USE THEREOF RNASEL, RNASE1, RRM1 ALDH1A1 1328/4885GAA 862/4885HTT 3727/4885

“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.