SCHEMBL21177388

SCHEMBL21177388

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
LRRK2 Q5S007 2/20 0.41
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GFER P55789 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
USP30 Q70CQ3 1/20 0.38
GAA P10253 1/20 0.38
MAPK14 Q16539 1/20 0.36

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
SCHEMBL21177386 1.00 RAB9A (0.41) RAB9ALRRK2NPC1HTTALDH1A1
SCHEMBL21177379 0.86 RAB9A (0.42) RAB9AALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL21177377 0.86 RAB9A (0.42) RAB9AALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL21177360 0.85 RORC (0.40) RAB9ALRRK2ALDH1A1LMNASMN1; SMN2
SCHEMBL21177358 0.85 RORC (0.40) RAB9ALRRK2ALDH1A1LMNASMN1; SMN2
SCHEMBL21189459 0.84 KMT2A (0.53) RAB9ANPC1HTTALDH1A1LMNA
SCHEMBL21812892 0.84 L3MBTL3 (0.44) LRRK2NPC1HTTALDH1A1LMNA
SCHEMBL21189731 0.82 POLB (0.53) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL21177182 0.80 POLB (0.39) HTTALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL1238120 0.79 HDAC4 (0.46) RAB9ANPC1KMT2AL3MBTL1USP30

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-20240336618-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-10-10 US disclosed
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-16 US disclosed
US-20230124394-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-20 US disclosed
US-20210387988-A1 PI4KIIIbeta Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-12-16 US disclosed
EP-3740489-A1 PI4KIIIBETA INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-11-25 EP disclosed
WO-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 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 (4 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-20230124394-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A RAB9A 758/4885LRRK2 795/4885NPC1 2014/4885
US-11649238-B2 Substituted pyrazolo[1,5-a]pyrimidines as PI4K inhibitors PI4K2A, PI4K2B, PI4KA RAB9A 1214/4885LRRK2 1477/4885NPC1 3062/4885
US-20240336618-A1 PI4KIIIBETA INHIBITORS PI4KB, PI4K2B, PI4K2A RAB9A 797/4885LRRK2 861/4885NPC1 2167/4885
US-20210387988-A1 PI4KIIIbeta Inhibitors PI4KB, PI4K2B, PI4K2A RAB9A 797/4885LRRK2 861/4885NPC1 2167/4885

“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.