SCHEMBL5465868

SCHEMBL5465868

CNC(=O)C(S)CC(S)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNPEP Q9H4A4 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ ACE P12821 4/20 0.35
▸ MME P08473 4/20 0.33
▸ CPA1 P15085 3/20 0.33
▸ ACE2 Q9BYF1 3/20 0.33
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DUSP3 P51452 1/20 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
SCHEMBL5463831 0.91 MAPT (0.39) RNPEPTDP1ALDH1A1LMNAMAPT
SCHEMBL5456370 0.82 RNPEP (0.48) RNPEPTDP1ALDH1A1LMNAMAPT
SCHEMBL3093445 0.80 RNPEP (0.68) RNPEPTDP1ALDH1A1LMNAMAPT
SCHEMBL22981486 0.79 RNPEP (0.56) RNPEPTDP1ALDH1A1LMNAMAPT
SCHEMBL5469957 0.78 RNPEP (0.50) RNPEPTDP1ALDH1A1LMNAMAPT
SCHEMBL5471350 0.78 RNPEP (0.56) RNPEPTDP1ALDH1A1LMNAMAPT
SCHEMBL5471418 0.75 MAPT (0.39) RNPEPTDP1ALDH1A1LMNAMAPT
SCHEMBL5469891 0.75 RNPEP (0.57) RNPEPTDP1ALDH1A1LMNAMAPT
SCHEMBL5465310 0.75 RNPEP (0.47) RNPEPTDP1ALDH1A1LMNAMAPT
SCHEMBL18818920 0.74 TDP1 (0.45) RNPEPTDP1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol MALLE GERARD 2007-01-11 — — US claimed
US-20050201964-A1 Composition to permanently reshape the hair containing at least one dicarboxydithiol L'OREAL S.A. (FR) 2005-09-15 — — US claimed
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol MALLE GERARD 2007-01-11 — — US disclosed
US-20050201964-A1 Composition to permanently reshape the hair containing at least one dicarboxydithiol L'OREAL S.A. (FR) 2005-09-15 — — 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 (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-20050201964-A1 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 RNPEP 3213/4885TDP1 2922/4885ALDH1A1 792/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 RNPEP 3213/4885TDP1 2922/4885ALDH1A1 792/4885

“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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