SCHEMBL4987650

SCHEMBL4987650

COC(=O)C(CS)C(=O)NCCNC(=O)C(CS)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
USP2 O75604 2/20 0.40
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MME P08473 1/20 0.34
MMP8 P22894 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PTPRB P23467 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A2 O94788 1/20 0.30
ALDH2 P05091 1/20 0.30
ALDH1A3 P47895 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
SCHEMBL4983533 0.92 ALDH1A2 (0.36) TSHRUSP2HSD17B10MEN1KMT2A
SCHEMBL4990338 0.84 TSHR (0.42) TSHRUSP2HSD17B10MEN1KMT2A
SCHEMBL4989727 0.82 MME (0.32) TSHRHSD17B10MMESMN1; SMN2PTPRB
SCHEMBL4986150 0.78 USP2 (0.41) TSHRUSP2MEN1KMT2AMME
SCHEMBL4989705 0.77 TSHR (0.41) TSHRUSP2MEN1KMT2AMMP8
SCHEMBL4990753 0.77 USP2 (0.41) TSHRUSP2MEN1KMT2AMMP8
SCHEMBL4983581 0.77 USP2 (0.46) TSHRUSP2MEN1KMT2AMMP8
SCHEMBL4989146 0.74 USP2 (0.38) TSHRUSP2MEN1KMT2AMME
SCHEMBL4984807 0.73 USP2 (0.43) TSHRUSP2MEN1KMT2AMMP8
SCHEMBL8887470 0.71 TSHR (0.34) TSHRHSD17B10MMESMN1; SMN2CA1

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-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming L'OREAL S.A. (FR) 2008-06-12 US claimed
EP-1844007-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'Oréal (FR) 2007-10-17 EP claimed
WO-2006077170-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'OREAL (FR) 2006-07-27 WO claimed
US-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming L'OREAL S.A. (FR) 2008-06-12 US disclosed
EP-1844007-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'Oréal (FR) 2007-10-17 EP disclosed
WO-2006077170-A1 USE OF AMINODITHIOL AS A REDUCING AGENT FOR HAIR PERMING L'OREAL (FR) 2006-07-27 WO 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-20080138309-A1 Use Of Aminodithiol As A Reducing Agent For Hair Perming AASDHPPT, BHMT2, ALAD TSHR 3476/4885USP2 2774/4885HSD17B10 852/4885

“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.