SCHEMBL21274451

SCHEMBL21274451

COc1cccc(C(=O)N[C@H](C(=O)O)C(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
GPR139 Q6DWJ6 5/20 0.60
GPR132 Q9UNW8 2/20 0.60
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
MMP2 P08253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL21274453 1.00 NPC1 (0.60) NPC1RAB9AGPR139GPR132TAS1R3
SCHEMBL11510357 0.87 ALDH1A1 (0.64) NPC1RAB9AGPR139GPR132SMN1; SMN2
SCHEMBL21274338 0.87 TAS1R3 (0.61) NPC1RAB9AGPR139TAS1R3TAS1R1
SCHEMBL21274340 0.87 TAS1R3 (0.61) NPC1RAB9AGPR139TAS1R3TAS1R1
SCHEMBL4177361 0.85 GPR139 (0.70) NPC1RAB9AGPR139GPR132TAS1R3
SCHEMBL381132 0.85 TAS1R3 (0.68) NPC1RAB9AGPR139TAS1R3TAS1R1
SCHEMBL30098882 0.85 TAS1R3 (0.68) NPC1RAB9AGPR139TAS1R3TAS1R1
SCHEMBL31389153 0.84 TAS1R3 (0.61) NPC1RAB9AGPR139TAS1R3TAS1R1
SCHEMBL13753418 0.84 TAS1R3 (0.63) NPC1RAB9AGPR139TAS1R3TAS1R1
SCHEMBL7410707 0.82 NPSR1 (0.71) TAS1R3TAS1R1MMP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257388-A1 GRANZYME B DIRECTED IMAGING AND THERAPY CYTOSITE BIOPHARMA INC. (US) 2023-08-17 US disclosed
US-11667645-B2 Granzyme B directed imaging and therapy CYTOSITE BIOPHARMA INC. (US) 2023-06-06 US disclosed
CN-113968795-A Compound, composition and application of compound and composition in preparation of medicine with effect of treating myocarditis 潍坊市人民医院(潍坊市传染病医院) 2022-01-25 CN disclosed
CN-112261939-A Granzyme B directed imaging and therapy 塞托赛特生物制药股份有限公司 2021-01-22 CN disclosed
EP-3752145-A1 GRANZYME B DIRECTED IMAGING AND THERAPY Cytosite Biopharma Inc. (US) 2020-12-23 EP disclosed
US-20200369673-A1 GRANZYME B DIRECTED IMAGING AND THERAPY CYTOSITE BIOPHARMA INC. 2020-11-26 US disclosed
WO-2019160916-A1 GRANZYME B DIRECTED IMAGING AND THERAPY CYTOSITE BIOPHARMA INC. (US) 2019-08-22 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-20230257388-A1 GRANZYME B DIRECTED IMAGING AND THERAPY GZMB, PRF1, CTSB NPC1 1424/4885RAB9A 1343/4885GPR139 1219/4885
US-20200369673-A1 GRANZYME B DIRECTED IMAGING AND THERAPY GZMB, PRF1, CTSB NPC1 1424/4885RAB9A 1343/4885GPR139 1219/4885
US-11667645-B2 Granzyme B directed imaging and therapy GZMB, PRF1, CTSB NPC1 1424/4885RAB9A 1343/4885GPR139 1219/4885

“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.