SCHEMBL5473337

SCHEMBL5473337

CC(C)CCNC(=O)C(S)OC(S)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LAP3 P28838 3/20 0.43
▸ ANPEP P15144 4/20 0.42
▸ DNPEP Q9ULA0 3/20 0.42
▸ RNPEP Q9H4A4 3/20 0.38
▸ CAPN9 O14815 2/20 0.38
▸ CAPN1 P07384 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL5466128 0.82 USP2 (0.36) L3MBTL1LMNAALDH1A1MAPTPTGS2
SCHEMBL5465853 0.82 CYP2C19 (0.47) RNPEPHPGDLMNAALDH1A1MAPT
SCHEMBL5470263 0.80 ALDH1A1 (0.47) LMNAALDH1A1MAPTPTGS2TDP1
SCHEMBL5470269 0.79 FNTA (0.43) SMN1; SMN2LMNA
SCHEMBL5466084 0.78 ACE (0.36) RNPEPSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL5471966 0.78 ALDH1A1 (0.36) MAPK1SMN1; SMN2ALDH1A1PKM
SCHEMBL5469964 0.77 ALDH1A1 (0.36) RNPEPLMNAALDH1A1MAPTPTGS2
SCHEMBL5456318 0.77 LAP3 (0.54) LAP3ANPEPDNPEPRNPEPCAPN9
SCHEMBL5469548 0.76 DNM1 (0.40) HPGD
SCHEMBL5471497 0.74 RNPEP (0.53) LAP3ANPEPDNPEPRNPEPCAPN9

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 LAP3 1217/4885ANPEP 3671/4885DNPEP 3764/4885
US-20070009462-A9 Composition to permanently reshape the hair containing at least one dicarboxydithiol NR5A1, SRD5A2, HRH3 LAP3 1217/4885ANPEP 3671/4885DNPEP 3764/4885

“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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