SCHEMBL6047673

SCHEMBL6047673

N[C@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.62
ACE P12821 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
ECE1 P42892 1/20 0.62
BLM P54132 1/20 0.62
NPEPPS P55786 1/20 0.62
KMT2A Q03164 1/20 0.62
SLC15A1 P46059 1/20 0.60
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
PTGS1 P23219 1/20 0.59
XIAP P98170 1/20 0.59
SLC7A5 Q01650 1/20 0.59
LTA4H P09960 1/20 0.57
CTSC P53634 1/20 0.55

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
SCHEMBL1329815 1.00 MME (0.62) MMEACEALDH1A1HPGDMAPK1
SCHEMBL1329817 1.00 MME (0.62) MMEACEALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL8692954 0.98 MME (0.60) MMEACEALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL8692950 0.98 MME (0.60) MMEACEALDH1A1HPGDMAPK1
SCHEMBL30053224 0.94 MME (0.56) MMEACEALDH1A1HPGDMAPK1
SCHEMBL1330243 0.94 MME (0.56) MMEACEALDH1A1HPGDMAPK1
SCHEMBL1330246 0.94 MME (0.56) MMEACEALDH1A1HPGDMAPK1
SCHEMBL30760629 0.94 MME (0.56) MMEACEALDH1A1HPGDMAPK1
SCHEMBL12201779 0.88 ALPI (0.58) ACESLC15A1ALPIPKMPTGS1
SCHEMBL8789703 0.88 ALPI (0.58) MMEACEALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100544769-C Comprise the liquid preparation of camptothecin derivative and the pharmaceutical composition that the lyophilizing said preparation makes TANABE SEIYAKU CO (JP) 2009-09-30 CN claimed
CN-100372570-C Pharmaceutical compositions comprising polysaccharide conjugates for inhibiting the metastsis or preventing the recurrence of maligant tumor TANABE SEIYAKU CO (JP) 2008-03-05 CN claimed
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 claimed
US-20050215485-A1 Liquid preparation comprising camptothecin derivative and pharmaceutical composition producible by lyophilizing the preparation MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-09-29 US claimed
CN-1646172-A Liquid preparation containing camptothecin derivative and pharmaceutical composition prepared by freeze-drying the preparation TANABE SEIYAKU CO (JP) 2005-07-27 CN claimed
EP-1501549-A2 LYOPHILISED AND LIQUID PREPARATIONS COMPRISING A POLYSACCHARIDE DERIVATIVE OF CAMPTOTHECIN TANABE SEIYAKU CO., LTD. (JP) 2005-02-02 EP claimed
CN-1545423-A Pharmaceutical compositions comprising polysaccharide conjugates for inhibiting the metastsis or preventing the recurrence of maligant tumor ������ҩ��ʽ���� 2004-11-10 CN claimed
EP-1418947-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYSACCHARIDE CONJUGATES FOR INHIBITING THE METASTASIS OR PREVENTING THE RECURRENCE OF MALIGNANT TUMOR TANABE SEIYAKU CO., LTD. (JP) 2004-05-19 EP claimed
CN-1142935-C Comptothecin compounds and preparation thereof ������ҩ��ʽ���� 2004-03-24 CN claimed
WO-2003086471-A2 LYOPHILIZED AND LIQUID PREPARATIONS COMPRISING A POLYSACCHARIDE DERIVATIVE OF CAMPTOTHECIN TANABE SEIYAKU CO., LTD. (JP) 2003-10-23 WO claimed
CN-1075501-C Camptothecin derivatives, preparation method, intermediate and application TANABE SEIYAKU CO (JP) 2001-11-28 CN claimed
CN-1073113-C Camptothecin derivative and preparation method and application thereof TANABE SEIYAKU CO (JP) 2001-10-17 CN claimed
EP-0781781-B1 Camptothecin derivatives TANABE SEIYAKU CO (JP) 2001-10-10 EP claimed
CN-1300733-A Comptothecin compounds and preparation thereof TANABE SEIYAKU CO (JP) 2001-06-27 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
US-5837673-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1998-11-17 US claimed
CN-1158334-A Camptothecin derivatives TANABE SEIYAKU CO (JP) 1997-09-03 CN claimed
EP-0781781-A2 Camptothecin derivatives TANABE SEIYAKU CO., LTD. (JP) 1997-07-02 EP claimed
EP-0757049-A1 Camptothecin derivatives TANABE SEIYAKU CO., LTD. (JP) 1997-02-05 EP claimed

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-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
US-20050215485-A1 Liquid preparation comprising camptothecin derivative and pharmaceutical composition producible by lyophilizing the preparation ALK, ACVR1, ACVR1B MME 4615/4885ACE 3968/4885ALDH1A1 2458/4885

“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.