SCHEMBL5458833

SCHEMBL5458833

CCCCNC(=O)C(S)C(S)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ DPP7 Q9UHL4 2/20 0.44
▸ EPHX1 P07099 4/20 0.44
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL5471965 0.88 TDP1 (0.46) FNTAFNTBDPP7EPHX1HPGD
SCHEMBL3297498 0.86 ALDH1A1 (0.50) FNTAFNTBDPP7EPHX1HPGD
SCHEMBL5318777 0.82 HPGD (0.44) FNTAFNTBHPGDHSD17B10TDP1
SCHEMBL5463763 0.80 DNM1 (0.42) HPGDHSD17B10TDP1LMNAABCB11
SCHEMBL5468515 0.79 TDP1 (0.50) HPGDHSD17B10TDP1LMNAABCB11
SCHEMBL5463899 0.78 FNTA (0.44) FNTAFNTBDPP7EPHX1LMNA
SCHEMBL5463173 0.78 ALDH1A1 (0.52) HPGDHSD17B10TDP1LMNAABCB11
SCHEMBL3291470 0.78 ALDH1A1 (0.48) HPGDHSD17B10TDP1LMNAABCB11
SCHEMBL3322036 0.77 TSHR (0.36) FNTAFNTBDPP7HPGDHSD17B10
SCHEMBL5456318 0.77 LAP3 (0.54) HPGDHSD17B10TDP1LMNAABCB11

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 FNTA 4528/4885FNTB 3722/4885DPP7 4077/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 FNTA 4528/4885FNTB 3722/4885DPP7 4077/4885

“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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