SCHEMBL20589053

SCHEMBL20589053

COc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.51
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
AGTR1 P30556 1/20 0.42
PDE4D Q08499 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL20589055 1.00 SMN1; SMN2 (0.53) SMN1; SMN2TP53PLAUELANEALDH1A1
SCHEMBL21851973 0.75 TP53 (0.57) SMN1; SMN2TP53PLAUELANEALDH1A1
SCHEMBL21121195 0.74 HTT (0.65) SMN1; SMN2ALDH1A1HPGDPOLBHTT
SCHEMBL21121187 0.74 HTT (0.68) SMN1; SMN2ALDH1A1HPGDPOLBHTT
SCHEMBL16887761 0.71 HTT (0.61) SMN1; SMN2ALDH1A1HPGDPOLBHTT
SCHEMBL23201908 0.70 GAA (0.61) SMN1; SMN2TP53ALDH1A1POLBHTT
SCHEMBL29971888 0.70 GAA (0.61) SMN1; SMN2TP53ALDH1A1POLBHTT
SCHEMBL21583741 0.70 GAA (0.61) SMN1; SMN2TP53ALDH1A1POLBHTT
SCHEMBL17552240 0.70 KMT2A (0.69) SMN1; SMN2TP53ALDH1A1HPGDHTT
SCHEMBL29831045 0.70 KMT2A (0.69) SMN1; SMN2TP53ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 US disclosed
US-20220009918-A1 Chemical Compounds GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-13 US disclosed
US-11149035-B2 Chemical compounds as H—PGDS inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DFVELOPMENT LIMITED (GB) 2021-10-19 US disclosed
US-11149035-B2 Chemical compounds as H—PGDS inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DFVELOPMENT LIMITED (GB) 2021-10-19 US disclosed
EP-3877384-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2021-09-15 EP disclosed
CN-112969698-A Chemical compound 葛兰素史密斯克莱知识产权发展有限公司 2021-06-15 CN disclosed
US-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-23 US disclosed
US-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-23 US disclosed
EP-3638672-A1 CHEMICAL COMPOUNDS AS H-PGDS INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed
CN-110753692-A Chemical compounds as H-PGDS inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-02-04 CN disclosed
WO-2018229629-A1 CHEMICAL COMPOUNDS AS H-PGDS INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-20 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-11149035-B2 Chemical compounds as H—PGDS inhibitors HPGDS, PTGS1, PTGIS SMN1; SMN2 1057/4885TP53 4787/4885PLAU 779/4885
US-20220009918-A1 Chemical Compounds HPGDS, PTGS1, PTGER1 SMN1; SMN2 281/4885TP53 4678/4885PLAU 2515/4885
US-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors HPGDS, PTGS1, PTGIS SMN1; SMN2 1070/4885TP53 4779/4885PLAU 756/4885

“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.