SCHEMBL30787947

SCHEMBL30787947

C=CCOC(=O)NCCNC(=O)NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CASP1 P29466 5/20 0.39
▸ KIF11 P52732 7/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TGM2 P21980 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ FAAH O00519 1/20 0.36

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
SCHEMBL29455263 0.89 CASP1 (0.37) SMN1; SMN2CASP1KIF11CYP3A4TGM2
SCHEMBL29455275 0.88 CASP1 (0.41) CASP1KIF11CYP3A4TGM2ALDH1A1
SCHEMBL29455255 0.78 L3MBTL1 (0.37) SMN1; SMN2CASP1KIF11NPC1RAB9A
SCHEMBL29455257 0.77 L3MBTL1 (0.36) CASP1KIF11NPC1RAB9AFAAH
SCHEMBL5666943 0.75 NPC1 (0.48) SMN1; SMN2KIF11CYP3A4TGM2ALDH1A1
SCHEMBL19265866 0.73 IDO1 (0.54) SMN1; SMN2KIF11NPC1RAB9A
SCHEMBL31370698 0.72 CASP1 (0.49) CASP1KIF11ALDH1A1
SCHEMBL13055388 0.71 MAPT (0.42) CASP1CYP3A4TSHR
SCHEMBL29032309 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KIF11ALDH1A1NPC1RAB9A
SCHEMBL4589970 0.70 CYP3A4 (0.44) SMN1; SMN2CASP1CYP3A4ALDH1A1TSHR

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-20240041897-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA GMBH (DE) 2024-02-08 — — 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-20240041897-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 SMN1; SMN2 3213/4885CASP1 1857/4885KIF11 3253/4885

“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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