SCHEMBL345331

SCHEMBL345331

CC(=O)Nc1cc(S(=O)(=O)O)cc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.57
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.43
▸ TIMP3 P35625 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ EDNRA P25101 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CASR P41180 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HPSE Q9Y251 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ ENPP3 O14638 1/20 0.40
▸ ENTPD3 O75355 1/20 0.40

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
SCHEMBL6073527 0.83 CASP6 (0.60) CASP6KMT2AMEN1ALDH1A1EDNRA
SCHEMBL8018981 0.82 CASP6 (0.72) CASP6KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL3301802 0.81 CASP6 (0.66) CASP6KMT2AMEN1TIMP3ALDH1A1
SCHEMBL9723988 0.78 CASP6 (0.48) CASP6KMT2AMEN1TIMP3ALDH1A1
SCHEMBL1857055 0.77 KMT2A (0.59) CASP6KMT2AMEN1ALDH1A1EDNRA
SCHEMBL4650417 0.77 CASP6 (0.64) CASP6KMT2AMEN1ALDH1A1RXFP1
SCHEMBL8589696 0.77 ENPP2 (0.49) CASP6KMT2AALDH1A1HSD17B10TTR
SCHEMBL28247278 0.77 CASP6 (0.49) CASP6KMT2AALDH1A1RXFP1MAPT
SCHEMBL3032086 0.76 TTR (0.56) CASP6KMT2AMEN1TIMP3ALDH1A1
SCHEMBL31151117 0.76 TTR (0.56) CASP6KMT2AMEN1TIMP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9084734-B2 Peptide personal care compositions and methods for their use DANISCO US INC. (US) 2015-07-21 — — US disclosed
US-8293784-B2 α-amino acid derivatives for improving solubility MERCK PATENT GMBH (DE) 2012-10-23 — — US disclosed
US-20120014885-A1 Personal Care Compositions and Methods for Their Use DANISCO US INC. 2012-01-19 — — US disclosed
EP-2344531-A1 MODIFIED VARIANT BOWMAN BIRK PROTEASE INHIBITORS Danisco US Inc. (US) 2011-07-20 — — EP disclosed
US-20110152292-A1 SALTS COMPRISING A PYRIMIDINECARBOXYLIC ACID DERIVATIVE FOR COSMETIC USE MERCK PATENT GESELLSCHAFT (DE) 2011-06-23 — — US disclosed
US-7943662-B2 For skin/hair light protection; cosmetics MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-17 — — US disclosed
US-20110039924-A1 ALPHA-AMINO ACID DERIVATIVES FOR IMPROVING SOLUBILITY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-17 — — US disclosed
US-7772181-B2 Personal care compositions comprising modified variant Bowman Birk Protease Inhibitors DANISCO US INC. (US) 2010-08-10 — — US disclosed
WO-2010044786-A1 MODIFIED VARIANT BOWMAN BIRK PROTEASE INHIBITORS DANISCO US INC., GENENCOR DIVISION (US) 2010-04-22 — — WO disclosed
US-20100092409-A1 PERSONAL CARE COMPOSITIONS COMPRISING MODIFIED VARIANT BOWMAN BIRK PROTEASE INHIBITORS DANISCO US INC. 2010-04-15 — — US disclosed
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — US disclosed
US-20080075684-A1 Keratin-Binding Polypeptides BASF AKTIENGESELLSCHAFT (DE) 2008-03-27 — — US disclosed
EP-1880007-A2 PERSONAL CARE COMPOSITIONS AND METHODS FOR THEIR USE GENENCOR INTERNATIONAL, INC. (US) 2008-01-23 — — EP disclosed
WO-2006121610-A2 PERSONAL CARE COMPOSITIONS AND METHODS FOR THEIR USE GENENCOR INTERNATIONAL, INC. (US) 2006-11-16 — — WO disclosed
US-20050276764-A1 Topical use of bis-arylimidazo[1,2-a]thiolane derivatives BEIERSDORF AG 2005-12-15 — — 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 (6 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 CASP6 2411/4885KMT2A 2796/4885MEN1 4346/4885
US-20110152292-A1 SALTS COMPRISING A PYRIMIDINECARBOXYLIC ACID DERIVATIVE FOR COSMETIC USE NUDT1, PPIP5K2, ENPP1 CASP6 1353/4885KMT2A 4325/4885MEN1 3242/4885
US-20120014885-A1 Personal Care Compositions and Methods for Their Use CUTA, VEGFA, BDNF CASP6 2302/4885KMT2A 3229/4885MEN1 2582/4885
US-20100092409-A1 PERSONAL CARE COMPOSITIONS COMPRISING MODIFIED VARIANT BOWMAN BIRK PROTEASE INHIBITORS SERPINB1, CPB1, HABP2 CASP6 2047/4885KMT2A 3756/4885MEN1 843/4885
US-20050276764-A1 Topical use of bis-arylimidazo[1,2-a]thiolane derivatives ITCH, TRPA1, TPH1 CASP6 2750/4885KMT2A 1642/4885MEN1 4693/4885
US-20110039924-A1 ALPHA-AMINO ACID DERIVATIVES FOR IMPROVING SOLUBILITY SLC7A1, AADAT, DNPEP CASP6 4151/4885KMT2A 2905/4885MEN1 2988/4885

“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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