SCHEMBL23780537

SCHEMBL23780537

CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(Oc2ccc(C)c3c2C(C)(C)CO3)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
HDAC4 P56524 3/20 0.32

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
SCHEMBL31009065 1.00 SCN9A (0.35) SCN9ACTSSCTSKMAPTALDH1A1
SCHEMBL21857662 0.91 SCN9A (0.34) SCN9ACTSSCTSKMAPTALDH1A1
SCHEMBL21953200 0.91 SCN9A (0.34) SCN9ACTSSCTSKMAPTALDH1A1
SCHEMBL30066002 0.91 SCN9A (0.34) SCN9ACTSSCTSKMAPTALDH1A1
SCHEMBL21857661 0.91 SCN9A (0.34) SCN9ACTSSCTSKMAPTALDH1A1
SCHEMBL19396321 0.90 CA12 (0.36) SCN9ACTSSCTSKMAPTALDH1A1
SCHEMBL15306196 0.90 CA12 (0.36) SCN9ACTSSCTSKMAPTALDH1A1
SCHEMBL29438019 0.90 CA12 (0.36) SCN9ACTSSCTSKMAPTALDH1A1
SCHEMBL31009068 0.87 SCN9A (0.39) SCN9ACTSSCTSKMAPTALDH1A1
SCHEMBL23750239 0.87 SCN9A (0.39) SCN9ACTSSCTSKMAPTALDH1A1

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-20210276985-A1 NOVEL COMPOUNDS AUTIFONY THERAPEUTICS LIMITED (GB) 2021-09-09 US disclosed
US-20210276985-A1 NOVEL COMPOUNDS AUTIFONY THERAPEUTICS LIMITED (GB) 2021-09-09 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-20210276985-A1 NOVEL COMPOUNDS NR3C2, AKR1C3, MC2R SCN9A 2204/4885CTSS 3282/4885CTSK 4002/4885

“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.