SCHEMBL25928846

SCHEMBL25928846

COC(=O)C(CC(=O)C(C)(C)C)NC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.33
BIRC2 Q13490 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CNR2 P34972 1/20 0.31
AR P10275 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
MME P08473 1/20 0.30
KLK5 Q9Y337 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL18876681 0.79 CA1 (0.40) NPSR1BIRC2CA1CA2TAS1R3
SCHEMBL8580667 0.79 CNR2 (0.32) NPSR1CNR2
SCHEMBL8580669 0.78 SMN1; SMN2 (0.32) NPSR1CNR2SMN1; SMN2
SCHEMBL23051869 0.78 TAS1R3 (0.50) BIRC2TAS1R3TAS1R1SMN1; SMN2
SCHEMBL28941580 0.74 ITGB1 (0.39) NPSR1
SCHEMBL24263116 0.72 CNR2 (0.34) NPSR1CNR2
SCHEMBL24263122 0.72 CNR2 (0.34) NPSR1CNR2
SCHEMBL20623017 0.71 GRIA1 (0.37)
Hydrochloric Acid SCHEMBL28675933 0.71 CTSK (0.43) CNR2
SCHEMBL19756282 0.71 GRIA1 (0.44)

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-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH NPSR1 2384/4885ATM 2998/4885BIRC2 3852/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH NPSR1 1220/4885ATM 3447/4885BIRC2 4142/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH NPSR1 1220/4885ATM 3447/4885BIRC2 4142/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH NPSR1 3063/4885ATM 1786/4885BIRC2 2568/4885

“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.