SCHEMBL31578704

SCHEMBL31578704

CCOC(=O)CNC(=O)Cc1csc(-c2ccc3c(c2)NCCO3)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ SHMT2 P34897 5/20 0.44
▸ SHMT1 P34896 3/20 0.44
▸ TP53 P04637 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38

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
SCHEMBL31578642 0.87 SHMT2 (0.55) SHMT2SHMT1ALDH1A1GAAKDM4E
SCHEMBL31578724 0.78 SHMT2 (0.53) SHMT2SHMT1SMN1; SMN2ALDH1A1GAA
SCHEMBL31578879 0.78 SHMT2 (0.48) SHMT2SHMT1TP53SMN1; SMN2ALDH1A1
SCHEMBL31578675 0.77 NPC1 (0.42) NPC1RAB9ACLK1SHMT2SHMT1
SCHEMBL31578832 0.76 SHMT2 (0.54) NPC1RAB9ASHMT2SHMT1TP53
SCHEMBL31578885 0.75 SHMT2 (0.52) NPC1RAB9ASHMT2SHMT1TP53
SCHEMBL20255697 0.72 SHMT2 (0.66) NPC1RAB9ASHMT2SHMT1SMN1; SMN2
SCHEMBL31057887 0.71 SHMT2 (0.44) SHMT2SHMT1TP53SMN1; SMN2ALDH1A1
SCHEMBL20241556 0.70 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL31578923 0.70 SHMT2 (0.55) SHMT2SHMT1TP53SMN1; SMN2ALDH1A1

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-20250163075-A1 HETEROBIFUNCTIONAL TARGETED PROTEIN DEGRADERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-05-22 — — 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-20250163075-A1 HETEROBIFUNCTIONAL TARGETED PROTEIN DEGRADERS KLHDC2, KLHL6, KLHL20 NPC1 2661/4885RAB9A 3624/4885CLK1 1113/4885

“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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