SCHEMBL743343

SCHEMBL743343

O=C(O)CC(=O)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TBXAS1 P24557 2/20 0.42
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
BRAF P15056 1/20 0.34
HDAC1 Q13547 1/20 0.34
HSPA5 P11021 1/20 0.34
FDPS P14324 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL29163121 0.90 NPC1 (0.47) NPC1RAB9ATBXAS1KMT2AKDM4E
Malonic Acid SCHEMBL28603419 0.84 NPC1 (0.43) NPC1RAB9ATBXAS1KMT2AKDM4E
SCHEMBL5163628 0.82 NPC1 (0.42) NPC1RAB9ATBXAS1KMT2AKDM4E
SCHEMBL10997776 0.82 TBXAS1 (0.49) NPC1RAB9ATBXAS1KMT2AKDM4E
Malonic Acid SCHEMBL27504201 0.81 NPC1 (0.41) NPC1RAB9ATBXAS1KMT2AKDM4E
SCHEMBL31602536 0.81 NPC1 (0.45) NPC1RAB9ATBXAS1KMT2AKDM4E
SCHEMBL9294432 0.79 TBXAS1 (0.58) NPC1RAB9ATBXAS1KMT2AGAA
SCHEMBL5160052 0.79 NPC1 (0.44) NPC1RAB9ATBXAS1KMT2AKDM4E
SCHEMBL5160738 0.79 NPC1 (0.44) NPC1RAB9ATBXAS1KMT2AKDM4E
SCHEMBL5468184 0.79 NPC1 (0.44) NPC1RAB9ATBXAS1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483283-B1 Method for the manufacture of aminohydroxy diphosphonic acids STRAITMARK HOLDING AG (CH) 2015-01-07 EP claimed
US-8779135-B2 Method for the manufacture of aminohydroxy diphosphonic acids STRAITMARK HOLDING AG (CH) 2014-07-15 US claimed
US-20120245354-A1 METHOD FOR THE MANUFACTURE OF AMINOHYDROXY DIPHOSPHONIC ACIDS STRAITMARK HOLDING AG (CH) 2012-09-27 US claimed
EP-1476451-A1 USE OF CERTAIN DILUENTS FOR MAKING BISPHOSPHONIC ACIDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-11-17 EP claimed
WO-2003097655-A1 USE OF CERTAIN DILUENTS FOR MAKING BISPHOSPHONIC ACIDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-11-27 WO claimed
US-8940901-B2 Process for the preparation of 3-(6-amino-pyridin-3yl)-2-acrylic acid derivatives SANOFI (FR) 2015-01-27 US disclosed
US-8865906-B2 Process for the preparation of a compound useful as an inhibitor of TAFIa SANOFI (FR) 2014-10-21 US disclosed
EP-2638016-B1 PROCESS FOR THE PREPARATION OF 3-(6-AMINO-PYRIDIN-3YL)-2-ACRYLIC ACID DERIVATIVES SANOFI SA (FR) 2014-10-01 EP disclosed
US-20130245274-A1 Process for the preparation of 3-(6-amino-pyridin-3yl)-2-acrylic acid derivatives SANOFI (FR) 2013-09-19 US disclosed
EP-2638016-A1 Process for the preparation of 3-(6-amino-pyridin-3yl)-2-acrylic acid derivatives SANOFI (FR) 2013-09-18 EP disclosed
EP-2430002-B1 PROCESS FOR THE PREPARATION OF A COMPOUND USEFUL AS AN INHIBITOR OF TAFIA SANOFI SA (FR) 2013-07-24 EP disclosed
EP-2192126-B1 Process for making zoledronic acid SYNTHON BV (NL) 2013-03-27 EP disclosed
EP-2192126-A1 Process for making zoledronic acid Synthon B.V. (NL) 2010-06-02 EP disclosed
US-20100130746-A1 Process for Making Zoledronic Acid SYNTHON BV (NL) 2010-05-27 US disclosed
EP-1987046-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BIPHOSPHONIC DERIVATIVES Alembic Limited (IN) 2008-11-05 EP disclosed
WO-2007096896-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BIPHOSPHONIC DERIVATIVES ALEMBIC LIMITED (IN) 2007-08-30 WO disclosed
EP-1476451-A1 USE OF CERTAIN DILUENTS FOR MAKING BISPHOSPHONIC ACIDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-11-17 EP disclosed
WO-2003097655-A1 USE OF CERTAIN DILUENTS FOR MAKING BISPHOSPHONIC ACIDS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-11-27 WO disclosed
EP-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 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-20130245274-A1 Process for the preparation of 3-(6-amino-pyridin-3yl)-2-acrylic acid derivatives C5, F5, F12 NPC1 4413/4885RAB9A 2224/4885TBXAS1 652/4885
US-20100130746-A1 Process for Making Zoledronic Acid PTH1R, CALCR, FGF23 NPC1 682/4885RAB9A 1401/4885TBXAS1 1464/4885

“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.