SCHEMBL21552301

SCHEMBL21552301

CC(C)(C)OC(=O)Nc1nc2c(s1)CC(NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SCN4A P35499 1/20 0.48
TSHR P16473 1/20 0.47
GSK3B P49841 2/20 0.47
CSNK2A1 P68400 2/20 0.47

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
SCHEMBL21568215 0.87 SCN4A (0.46) NPC1RAB9ASMN1; SMN2SCN4AGSK3B
SCHEMBL14754945 0.85 DRD3 (0.56) NPC1RAB9ASMN1; SMN2GSK3BCSNK2A1
SCHEMBL28912414 0.85 SCN4A (0.49) SCN4AGSK3BCSNK2A1
SCHEMBL15738520 0.85 SCN4A (0.49) SCN4A
SCHEMBL28912415 0.85 SCN4A (0.49) SCN4AGSK3BCSNK2A1
SCHEMBL29145448 0.85 SCN4A (0.49) SCN4A
SCHEMBL308041 0.85 MAPT (0.53) NPC1RAB9ASMN1; SMN2GSK3BCSNK2A1
SCHEMBL308040 0.85 MAPT (0.53) NPC1RAB9ASMN1; SMN2GSK3BCSNK2A1
SCHEMBL14146257 0.84 SCN4A (0.48) SCN4A
SCHEMBL2713962 0.84 SCN4A (0.64) SCN4A

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-20240287098-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2024-08-29 US disclosed
US-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 US disclosed
US-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 US disclosed
US-11731985-B2 Compositions and methods for treating cancer HB THERAPEUTICS INC. (US) 2023-08-22 US disclosed
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2021-04-22 US disclosed
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2021-04-22 US disclosed
WO-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 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-11731985-B2 Compositions and methods for treating cancer VHL, TP53, NUDT1 NPC1 424/4885RAB9A 3882/4885SMN1; SMN2 3105/4885
US-20210115064-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 NPC1 749/4885RAB9A 4161/4885SMN1; SMN2 3703/4885
US-20240287098-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER VHL, TP53, NUDT1 NPC1 424/4885RAB9A 3882/4885SMN1; SMN2 3105/4885

“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.