SCHEMBL3278844

SCHEMBL3278844

O=C(CCCCC(S)CCS)NC(Cc1ccccc1)C(=O)O.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.53
▸ FAAH O00519 2/20 0.53
▸ MME P08473 1/20 0.51
▸ CTSG P08311 1/20 0.50
▸ CMA1 P23946 1/20 0.50
▸ ECE1 P42892 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.49
▸ EPHX2 P34913 1/20 0.48

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
SCHEMBL3278851 1.00 ACE (0.53) ACEFAAHMMECTSGCMA1
SCHEMBL2576087 0.99 ACE (0.54) ACEFAAHMMECTSGCMA1
SCHEMBL2576086 0.99 ACE (0.54) ACEFAAHMMECTSGCMA1
SCHEMBL3334668 0.98 ACE (0.53) ACEFAAHMMECTSGCMA1
SCHEMBL3334676 0.98 ACE (0.53) ACEFAAHMMECTSGCMA1
Zinc Ion SCHEMBL2576092 0.90 CTSG (0.47) FAAHCTSGCMA1
Zinc Ion SCHEMBL3334670 0.88 CTSG (0.48) FAAHCTSGCMA1
SCHEMBL3278849 0.88 CTSG (0.48) FAAHCTSGCMA1
SCHEMBL8257584 0.85 FOLH1 (0.47) ACEFAAHMMEEPHX2
SCHEMBL2806565 0.84 FAAH (0.67) ACEFAAHCTSGCMA1NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10632089-B2 Tyrosinase activity inhibitor and external preparation for skin JO COSMETICS CO., LTD. (JP) 2020-04-28 — — US disclosed
US-20180071239-A1 TYROSINASE ACTIVITY INHIBITOR AND EXTERNAL PREPARATION FOR SKIN JO COSMETICS CO., LTD. (JP) 2018-03-15 — — US disclosed
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF SENJU PHARMACEUTICAL CO. LTD. (JP) 2010-06-17 — — US disclosed
US-7700080-B2 Method of suppressing melanin production by metal chelates of lipoyl amino acid derivatives SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-20 — — US disclosed
EP-1371640-B1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 — — EP disclosed
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 — — US disclosed
EP-1371640-A1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2003-12-17 — — 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 (4 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-10632089-B2 Tyrosinase activity inhibitor and external preparation for skin TYR, SOD1, CAT ACE 188/4885FAAH 3929/4885MME 685/4885
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF TYR, SERPINB1, LPO ACE 122/4885FAAH 1636/4885MME 163/4885
US-20180071239-A1 TYROSINASE ACTIVITY INHIBITOR AND EXTERNAL PREPARATION FOR SKIN TYR, SOD1, CAT ACE 188/4885FAAH 3929/4885MME 685/4885
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof TYR, SERPINB1, LPO ACE 385/4885FAAH 1603/4885MME 473/4885

“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.

Send feedback