SCHEMBL20028655

SCHEMBL20028655

Cc1nc(C(=O)O)c(-c2ccccc2)n1COCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
DGAT1 O75907 3/20 0.39
F11 P03951 1/20 0.39
FAAH O00519 4/20 0.38
MDM2 Q00987 1/20 0.36
AKR1B10 O60218 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
DHODH Q02127 1/20 0.36
TARBP2 Q15633 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL20028658 0.90 F11 (0.41) NPC1DGAT1F11FAAHKDM4E
SCHEMBL22896479 0.86 TARBP2 (0.40) NPC1DGAT1F11KDM4EHSD17B10
SCHEMBL8823048 0.80 MDM2 (0.42) NPC1F11MDM2
SCHEMBL20028659 0.79 CAPN1 (0.43) F11
SCHEMBL22896480 0.79 CAPN1 (0.43) F11
SCHEMBL4799247 0.77 DGAT1 (0.41) NPC1DGAT1
SCHEMBL16497631 0.75 MEN1 (0.45) NPC1F11
SCHEMBL2842517 0.74 HDAC6 (0.40) NPC1DGAT1F11KDM4EHSD17B10
SCHEMBL31558507 0.74 SMN1; SMN2 (0.47) NPC1DGAT1TARBP2CYP1A2CYP2C9
SCHEMBL23320065 0.73 HPGD (0.48) NPC1KDM4E

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 NPC1 2197/4885DGAT1 2708/4885F11 4734/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 NPC1 1945/4885DGAT1 2911/4885F11 4804/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 NPC1 2197/4885DGAT1 2708/4885F11 4734/4885

“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.