SCHEMBL6926435

SCHEMBL6926435

CCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
GSTK1 Q9Y2Q3 1/20 0.59
NOD1 Q9Y239 14/20 0.56
GLO1 Q04760 1/20 0.55
BHMT Q93088 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
SCHEMBL1158162 1.00 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1BHMT
SCHEMBL11870407 1.00 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1BHMT
SCHEMBL6927655 1.00 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1BHMT
SCHEMBL11870393 1.00 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1BHMT
SCHEMBL11866992 1.00 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1BHMT
SCHEMBL17075565 1.00 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1BHMT
SCHEMBL17075566 1.00 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1BHMT
SCHEMBL2091563 1.00 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1BHMT
SCHEMBL2091575 1.00 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1BHMT
SCHEMBL11872484 1.00 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1BHMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363584-A1 TREATMENT OF DANDRUFF UNILEVER PLC (GB) 2003-11-26 EP disclosed
US-20020168327-A1 Treatment of dandruff UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-11-14 US disclosed
US-6451341-B1 ADMINISTERING TO ANIMAL DIETARY SUPPLEMENT COMPRISING BUTYLATED HYDROXYTOLUENE(BHT), BUTYLATED HYDROXYANISOLE(BHA), VITAMIN E, AND B-CAROTENE TO PREVENT SKIN CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-09-17 US disclosed
WO-2002067880-A1 TREATMENT OF DANDRUFF UNILEVER PLC (GB) 2002-09-06 WO disclosed
EP-0514451-B1 DIETARY SUPPLEMENTS COMPRISING VITAMINS AND MINERALS LIFESCIENCE CORP (US) 1997-01-15 EP disclosed
US-5472698-A Mixture of (N-acetyl)-L-serine, N-acetylcysteine and alpha-lipoic acid which promotes ceramide production in skin cells ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) 1995-12-05 US disclosed
EP-0514451-A1 DIETARY SUPPLEMENTS COMPRISING VITAMINS AND MINERALS. UNIV TEXAS (US) 1992-11-25 EP disclosed
WO-1991011117-A2 DIETARY SUPPLEMENTS COMPRISING VITAMINS AND MINERALS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-08-08 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-20020168327-A1 Treatment of dandruff CYP51A1, ERG28, SREBF1 PTGS1 2480/4885GSTK1 1223/4885NOD1 3448/4885

“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.