SCHEMBL6047683

SCHEMBL6047683

CC(Nc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.51
ACE P12821 3/20 0.51
ALDH1A1 P00352 5/20 0.50
ABAT P80404 1/20 0.49
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PTGS2 P35354 1/20 0.47
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
ECE1 P42892 1/20 0.46
BLM P54132 1/20 0.46
NPEPPS P55786 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45

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
SCHEMBL28139032 0.84 CTSL (0.48) MMEALDH1A1
SCHEMBL11675813 0.84 ALDH1A1 (0.51) MMEACEALDH1A1GAAMAPT
SCHEMBL11100514 0.84 ALDH1A1 (0.46) ALDH1A1GAALMNATDP1HPGD
SCHEMBL30415753 0.83 MME (0.49) MMEACEALDH1A1ABATGAA
SCHEMBL27570109 0.83 ACE (0.49) MMEACEALDH1A1GAAECE1
SCHEMBL28110897 0.83 MME (0.49) MMEACEALDH1A1ABATGAA
SCHEMBL11340286 0.81 CTSS (0.50) ALDH1A1GAA
SCHEMBL28237975 0.81 ALDH1A1 (0.42) MMEACEALDH1A1GAAMAPT
Bromide SCHEMBL10907178 0.81 PPID (0.51) ALDH1A1GAAMAPTLMNAHPGD
SCHEMBL8012043 0.80 TDP1 (0.52) ALDH1A1GAAMAPTLMNATDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 CN claimed
CN-102300870-B Low molecular weight polysulfated hyaluronic acid derivatives and medicines containing the same OTSUKA CHEMICAL CO LTD 2014-12-03 CN claimed
CN-1119340-C Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2003-08-27 CN claimed
US-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor TANABE SEIYAKU CO., LTD. (JP) 2003-05-15 US claimed
CN-1265657-A Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
US-5892043-A MIXTURE WITH POLYSACCHARIDE AND PEPTIDE; ANTITUMOR AGENT TANABE SEIYAKU CO., LTD. (JP) 1999-04-06 US claimed
EP-0757049-B1 Camptothecin derivatives TANABE SEIYAKU CO (JP) 1999-03-24 EP claimed
CN-1060408-A Improved vaccine combination NORTH AMERICAN VACCINE INC (CA) 1992-04-22 CN claimed
CN-1056816-A The vaccine combination of improvement NORTH AMERICAN VACCINES INC (CA) 1991-12-11 CN claimed
CN-109153635-A Neuropeptide S receptor (NPSR) agonist 研究三角协会 2019-01-04 CN disclosed
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 CN disclosed
CN-102300870-B Low molecular weight polysulfated hyaluronic acid derivatives and medicines containing the same OTSUKA CHEMICAL CO LTD 2014-12-03 CN disclosed
CN-1942161-B Compositions and treatments for demyelinating diseases and paralysis by administration of remyelinating drugs ELAN PHARM INC 2012-05-30 CN disclosed
CN-102300870-A Low molecular weight polysulfated hyaluronic acid derivatives and medicines containing the same 2011-12-28 CN disclosed
US-20060052288-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-03-09 US disclosed
CN-1119340-C Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2003-08-27 CN disclosed
US-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor TANABE SEIYAKU CO., LTD. (JP) 2003-05-15 US disclosed
CN-1265657-A Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN disclosed
CN-1129217-A Baccatin derivatives and processes for the preparing the same TANABE SEIYAKU CO (JP) 1996-08-21 CN disclosed
CN-1060408-A Improved vaccine combination NORTH AMERICAN VACCINE INC (CA) 1992-04-22 CN 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 (2 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-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor CD44, MUC1, HGFAC MME 52/4885ACE 753/4885ALDH1A1 4169/4885
US-20060052288-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor CD44, MUC1, HGFAC MME 52/4885ACE 753/4885ALDH1A1 4169/4885

“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.