SCHEMBL2876631

SCHEMBL2876631

CC(S)C(C(=O)NCCO)C(C)S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TSHR P16473 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ LMNA P02545 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CXCL8 P10145 1/20 0.34
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL30881126 0.82 — —
SCHEMBL2874631 0.78 USP2 (0.47) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL2874045 0.77 ALDH1A1 (0.40) ALDH1A1MAPTUSP2KMT2ATSHR
SCHEMBL5463148 0.77 ALDH1A1 (0.61) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL146290 0.77 — —
SCHEMBL24668899 0.75 ALDH1A1 (0.48) ALDH1A1MAPTUSP2MEN1KMT2A
SCHEMBL28708501 0.75 — —
SCHEMBL4949428 0.75 — —
SCHEMBL49978 0.75 — —
Hydrochloric Acid SCHEMBL27728947 0.75 KMT2A (0.58) ALDH1A1MAPTUSP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 — — EP claimed
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol L'OREAL S.A. (FR) 2005-09-22 — — US claimed
EP-1570835-A1 Composition for the permanent deformatioh of the hair comprising at least one carboxydithiol L'OREAL (FR) 2005-09-07 — — EP claimed
US-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol L'OREAL S.A. (FR) 2005-09-22 — — US disclosed
EP-1570835-A1 Composition for the permanent deformatioh of the hair comprising at least one carboxydithiol 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 (1 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-20050208007-A1 Composition to permanently reshape the hair containing at least one carboxydithiol CTH, BHMT2, CRAT ALDH1A1 390/4885MAPT 1532/4885USP2 1040/4885

“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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