SCHEMBL5471965

SCHEMBL5471965

CCCNC(=O)C(S)C(S)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ PTPN5 P54829 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ MME P08473 2/20 0.43
▸ ACE P12821 2/20 0.43
▸ CPA1 P15085 2/20 0.43

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
SCHEMBL5458833 0.88 FNTA (0.46) TDP1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL5468515 0.83 TDP1 (0.50) TDP1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL3291470 0.81 ALDH1A1 (0.48) TDP1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL5463173 0.81 ALDH1A1 (0.52) TDP1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL3297498 0.81 ALDH1A1 (0.50) TDP1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL5456318 0.80 LAP3 (0.54) TDP1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL5469494 0.79 ALDH1A1 (0.41) TDP1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL5318777 0.78 HPGD (0.44) TDP1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL14001445 0.78 TDP1 (0.44) TDP1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL5478001 0.76 RNPEP (0.42) TDP1ALDH1A1MAPTLMNAMME

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 TDP1 2922/4885ALDH1A1 792/4885HPGD 487/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 TDP1 2922/4885ALDH1A1 792/4885HPGD 487/4885

“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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