SCHEMBL22420135

SCHEMBL22420135

CC(C)CSCC(=O)NCCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.41
▸ GAA P10253 1/20 0.37
▸ MLYCD O95822 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CCKBR P32239 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ HPGD P15428 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
SCHEMBL20287616 0.83 SIGMAR1 (0.39) SIGMAR1MLYCDALDH1A1POLBUSP2
SCHEMBL17368483 0.80 SIGMAR1 (0.44) SIGMAR1GAAMLYCDALDH1A1CCKBR
SCHEMBL24690507 0.80 SIGMAR1 (0.44) SIGMAR1GAAMLYCDALDH1A1POLB
SCHEMBL12656584 0.80 SIGMAR1 (0.44) SIGMAR1GAAMLYCDALDH1A1CCKBR
SCHEMBL23589877 0.80 GAA (0.52) GAAALDH1A1POLBHPGD
SCHEMBL23589878 0.77 GAA (0.43) GAAALDH1A1HPGD
SCHEMBL18897122 0.77 SIGMAR1 (0.41) SIGMAR1MLYCDALDH1A1HPGD
SCHEMBL16137445 0.77 PTGS1 (0.38) GAAALDH1A1POLBHPGD
SCHEMBL18313748 0.76 MEN1 (0.49) GAAALDH1A1POLBHPGD
SCHEMBL10224055 0.76 SMN1; SMN2 (0.49) SIGMAR1GAAMLYCDALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 — — 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 (1 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-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 SIGMAR1 545/4885GAA 172/4885MLYCD 1431/4885

“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.

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