SCHEMBL2749487

SCHEMBL2749487

CCCCCCNCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.60
PPARG P37231 7/20 0.60
PPARD Q03181 7/20 0.60
PPARA Q07869 7/20 0.60
HDAC11 Q96DB2 5/20 0.60
TSHR P16473 5/20 0.60
PTPN1 P18031 3/20 0.60
ALDH1A1 P00352 3/20 0.60
TLR2 O60603 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
FABP4 P15090 2/20 0.60
KMT2A Q03164 2/20 0.60
SLC22A6 Q4U2R8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
MEN1 O00255 1/20 0.60
ESR1 P03372 1/20 0.60
ALOX15 P16050 1/20 0.60
PDE4A P27815 1/20 0.60
PDE3A Q14432 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL3830987 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL5595496 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL7954863 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL6758778 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL5969053 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL20138612 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL19798143 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL148702 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL8437709 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL8624945 1.00 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178712-B2 Process for the synthesis of Ibandronate sodium CIPLA LTD. (IN) 2012-05-15 US claimed
US-20100228052-A1 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM CIPLA LTD. (IN) 2010-09-09 US claimed
EP-2038291-B1 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM CIPLA LTD (IN) 2010-07-14 EP claimed
EP-2038291-A2 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM Cipla Limited (IN) 2009-03-25 EP claimed
WO-2008035367-A2 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM CIPLA LTD. (IN) 2008-03-27 WO claimed
EP-1064254-B1 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIV SASKATCHEWAN (CA) 2007-10-17 EP claimed
US-6984754-B1 Aliphatic amino carboxylic and amino phosphonic acids amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2006-01-10 US claimed
CN-1213999-C Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2005-08-10 CN claimed
JP-2002507591-A 2002-03-12 JP claimed
CN-1299342-A Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2001-06-13 CN claimed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP claimed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 WO claimed
CN-103796630-A Shampoo composition NIPPON OIL CORP 2014-05-14 CN disclosed
US-8178712-B2 Process for the synthesis of Ibandronate sodium CIPLA LTD. (IN) 2012-05-15 US disclosed
US-20100228052-A1 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM CIPLA LTD. (IN) 2010-09-09 US disclosed
EP-2038291-B1 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM CIPLA LTD (IN) 2010-07-14 EP disclosed
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2005-07-21 US disclosed
CN-1299342-A Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2001-06-13 CN disclosed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP disclosed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 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 (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-20100228052-A1 PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM BPGM, SQLE, GGPS1 GPR84 1487/4885PPARG 1107/4885PPARD 781/4885
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents CHAMP1, PYCR1, PRMT5 GPR84 827/4885PPARG 4529/4885PPARD 4366/4885

“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.