SCHEMBL21789486

SCHEMBL21789486

CC(C)(C)CNC(=O)C(C)(C)CCC(C)(C)CNC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 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
SCHEMBL8962237 0.82 POLB (0.38) SMN1; SMN2HSD17B10POLB
Ammonia Solution, Strong SCHEMBL27973098 0.80 POLB (0.37) SMN1; SMN2HSD17B10POLB
SCHEMBL24574899 0.77 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10POLB
SCHEMBL20204605 0.76 CNR1 (0.31)
SCHEMBL25584731 0.76
SCHEMBL21936665 0.75 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10POLB
SCHEMBL23613177 0.73 ACLY (0.37)
SCHEMBL14472418 0.71 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10POLB
SCHEMBL20218595 0.71 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10POLB
SCHEMBL17929908 0.71 RIPK1 (0.48) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 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 (2 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH SMN1; SMN2 4127/4885HSD17B10 1266/4885POLB 4302/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH SMN1; SMN2 3485/4885HSD17B10 1063/4885POLB 3304/4885

“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.