SCHEMBL5456827

SCHEMBL5456827

NC(=O)C(S)CCCC(S)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 2/20 0.46
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
FOLH1 Q04609 1/20 0.35
EPHX1 P07099 1/20 0.32
ENPEP Q07075 2/20 0.30
LDHA P00338 1/20 0.30
LDHB P07195 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL1679967 0.92 RNPEP (0.50) RNPEPCA1CA2FOLH1EPHX1
SCHEMBL5469952 0.88 RNPEP (0.39) RNPEPCA1CA2FOLH1EPHX1
SCHEMBL7098138 0.85
SCHEMBL18756515 0.85 RNPEP (0.68) RNPEPFOLH1CPB2
SCHEMBL27603467 0.83 RNPEP (0.43) RNPEPCA1CA2FOLH1ENPEP
SCHEMBL18151527 0.83 CA1 (0.48) RNPEPCA1CA2EPHX1
SCHEMBL18151523 0.81 MAPT (0.50) CA1CA2EPHX1
SCHEMBL5053854 0.81 MAPT (0.50) CA1CA2EPHX1
SCHEMBL18151863 0.81 MAPT (0.50) CA1CA2EPHX1
SCHEMBL3722099 0.81 MAPT (0.50) CA1CA2EPHX1

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 6 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
EP-1570834-A1 Composition for permanently deforming hair containing at least a dicarboxydithiol L'OREAL (FR) 2005-09-07 EP 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
EP-1570834-A1 Composition for permanently deforming hair containing at least a dicarboxydithiol L'OREAL (FR) 2005-09-07 EP 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 3213/4885CA1 1375/4885CA2 1240/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 RNPEP 3213/4885CA1 1375/4885CA2 1240/4885

“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.