SCHEMBL18686187

SCHEMBL18686187

CCOC(=O)N[C@H](C(=O)OC)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
BIRC2 Q13490 1/20 0.43
TSHR P16473 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16587941 1.00 CA12 (0.47) CA12CA14MAPTHSD17B10TAS1R3
SCHEMBL17011234 0.90 TYR (0.42) MAPTHSD17B10GAASMN1; SMN2LMNA
SCHEMBL28870475 0.90 TYR (0.42) MAPTHSD17B10GAASMN1; SMN2LMNA
SCHEMBL28231158 0.85 POLB (0.47) MAPTTAS1R3TAS1R1HTTALDH1A1
SCHEMBL25144944 0.84 MAPT (0.40) CA12CA14MAPTHSD17B10TAS1R3
SCHEMBL193208 0.84 NPSR1 (0.47) SMN1; SMN2LMNAHTTALDH1A1NPSR1
SCHEMBL1952824 0.84 NPSR1 (0.47) SMN1; SMN2LMNAHTTALDH1A1NPSR1
SCHEMBL12966152 0.84 SMN1; SMN2 (0.41) GAASMN1; SMN2LMNAHTTALDH1A1
SCHEMBL6858 0.84 NPSR1 (0.47) SMN1; SMN2LMNAHTTALDH1A1NPSR1
SCHEMBL12631032 0.84 LMNA (0.41) HSD17B10GAASMN1; SMN2LMNAHTT

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-20210290776-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2021-09-23 US disclosed
US-20200369598-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2020-11-26 US disclosed
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2019-07-18 US disclosed
WO-2017050259-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2017-03-30 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-20200369598-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 CA12 2144/4885CA14 2248/4885MAPT 2628/4885
US-20210290776-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CLTB, CD47, CD79B CA12 960/4885CA14 838/4885MAPT 624/4885
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 CA12 1923/4885CA14 1975/4885MAPT 3453/4885

“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.